Trimethyl cis, cis-1,3,5-cyclohexanetricarboxylate

CAT: 1299-RG-E140350-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-E140350-01Size:10 mg

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CAS Number

6998-83-0

Synonyms

Trimethyl (1s,3s,5s) -cyclohexane-1,3,5-tricarboxylate

Molecular Formula

C12H18O6

Molecular Weight

258.27

Product Name Synonym

Trimethyl (1s,3s,5s) -cyclohexane-1,3,5-tricarboxylate

Chemical Information

Trimethyl cyclohexane-1,3,5-tricarboxylate

CAS Number	6998-83-0
PubChem CID	247401
IUPAC Name	trimethyl cyclohexane-1,3,5-tricarboxylate
Molecular Formula	C12H18O6
Molecular Weight	258.27
XLogP	0.6
Topological Polar Surface Area	78.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Heavy Atom Count	18
Formal Charge	0
Complexity	273

SMILES

COC(=O)C1CC(CC(C1)C(=O)OC)C(=O)OC

InChI

InChI=1S/C12H18O6/c1-16-10(13)7-4-8(11(14)17-2)6-9(5-7)12(15)18-3/h7-9H,4-6H2,1-3H3

InChIKey

ZZNOMLSSCRBRJS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 6998-83-0

CID: 247401

Formula: C12H18O6

MW: 258.27

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	258.27
XLogP3	0.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	258.11033829
Monoisotopic Mass	258.11033829
Topological Polar Surface Area	78.9 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	273
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RG-E140194-01	1,3,5-trimethyl-1,3,5-triphenylcyclohexane
RM-A132004-01	1,3,5-Trimethyl Adamantane
RG-E140215-01	Bis (cis-3,3,5-trimethylcyclohexyl) phthalate
RM-C261579-01	13-Cis-Crocin 3
RM-V307943-01	9,13-Cis, Cis Vitamin A
RM-A132007-01	1-Amino-3,5,7-Trimethyl-Adamantane HCl
RG-C010100-01	Cis-1,2-Cyclohexanedimethanol
RG-E201210-01	Cis-1,2-Cyclohexanediol
RG-E201209-01	Cis,1,4-Cyclohexanediol
RM-E062207-01	Efavirenz Pent-3-Ene-1-Yne (Cis)

Catalog	Name
sc-237336	Trimethyl cis, cis-1,3,5-cyclohexanetricarboxylate
sc-275374	2,4,5-Trimethyl-3-oxazoline, cis + trans
sc-483056	1,3,5-Trimethyl-1,3,5-triphenylcyclotrisiloxane, mixture of isomers of cis and trans
AQ C6 0013-01	Cis- (1R,3S) -1,5,5-trimethyl-3-trimethylsilyloxycyclohexane-1,3-dicarbonitrile
T29255	1,3,5-Trimethyl-1,3,5-triphenylcyclotrisiloxane mixture of cis & trans isomers 90%
sc-300374	Cis-1,2-Dicyano-1,2-bis (2,4,5-trimethyl-3-thienyl) ethene
TRC-H947490-2.5MG	(4S-cis)-4-(1-Hydroxy-1-methylethyl)-2,2,5-trimethyl-1,3-dioxolane-4-carboxylic Acid
434152-01	(4S-cis) -4- (1-Hydroxy-1-methylethyl) -2,2,5-trimethyl-1,3-dioxolane-4-carboxylic Acid
TRC-T296250-1MG	(4S-cis)-4-(O-TBDMS-1-methylethyl)-2,2,5-trimethyl-1,3-dioxolane-4-carboxylic Acid
434153-01	(4S-cis) -4- (O-TBDMS-1-methylethyl) -2,2,5-trimethyl-1,3-dioxolane-4-carboxylic Acid