Cyclohexanecarboxylic acid isopropyl ester

CAT: 0127-OR921446Size: 1 EachDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR921446Size:1 Each

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

6553-80-6

MDL Number

MFCD00058949

Purity

98%

Smiles

CC(C)OC(=O)C1CCCCC1

Chemical Information

Cyclohexanecarboxylic acid, 1-methylethyl ester

CAS Number	6553-80-6
PubChem CID	81039
IUPAC Name	propan-2-yl cyclohexanecarboxylate
Molecular Formula	C10H18O2
Molecular Weight	170.25
XLogP	3
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	12
Formal Charge	0
Complexity	146

SMILES

CC(C)OC(=O)C1CCCCC1

InChI

InChI=1S/C10H18O2/c1-8(2)12-10(11)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3

InChIKey

PMQZNGSMBAGPRU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 6553-80-6

CID: 81039

Formula: C10H18O2

MW: 170.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	170.25
XLogP3	3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	170.130679813
Monoisotopic Mass	170.130679813
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	146
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
OR931378	Isopropyl-cyclohexanecarboxylic acid
OR1099188	Cyclohexanecarboxylic acid, 4-formylphenyl ester
OR922692	Crotonic acid isopropyl ester
OR916469-01	Carbamic acid isopropyl ester
OR951132-01	4-Oxo-cyclohexanecarboxylic acid methyl ester
OR1077025	Cyclohexanecarboxylic acid, 4-methyl-, methyl ester
PC520700-01	4- (Trifluoromethyl) cyclohexanecarboxylic acid methyl ester
BUP18049	Cyclohexanecarboxylic Acid
OR40331-01	Cyclohexanecarboxylic acid
OR1011424-01	4-Aminobenzoic Acid Isopropyl Ester

Catalog	Name
GTR19254414-01	Cyclohexanecarboxylic acid ethyl ester
MBS6025562-01	Cyclohexanecarboxylic Acid Methyl Ester
sc-335231	2-Isopropyl-5-methyl-cyclohexanecarboxylic acid
163234	Cyclohexanecarboxylic Acid Methyl Ester-d11
464290-01	Rac-3-Hydroxy-4-isopropyl-cyclohexanecarboxylic Acid
PBA41305	Citric acid isopropyl ester
RM-R192222-01	Rosuvastatin Acid Isopropyl Ester
RM-B261941-01	Benzenesulfonic Acid Isopropyl Ester
sc-474816	Tartaric Acid Isopropyl Ester
BAA74677	Carbamic acid isopropyl ester