3,4-Epoxycyclohexylmethyl 3,4-epoxycyclohexanecarboxylate

CAT: 0127-OR1030664-01Size: 100 mLDry Ice: NoHazardous: No

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CAT#:0127-OR1030664-01Size:100 mL

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CAS Number

2386-87-0

Synonyms

7-oxabicyclo[4.1.0]heptan-3-ylmethyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate

Purity

98%

Smiles

C1CC2C(O2)CC1COC(=O)C3CCC4C(C3)O4

Chemical Information

UT-632

CAS Number	2386-87-0
PubChem CID	16949
IUPAC Name	7-oxabicyclo[4.1.0]heptan-3-ylmethyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate
Molecular Formula	C14H20O4
Molecular Weight	252.31
XLogP	1.5
Topological Polar Surface Area	51.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	18
Formal Charge	0
Complexity	356

SMILES

C1CC2C(O2)CC1COC(=O)C3CCC4C(C3)O4

InChI

InChI=1S/C14H20O4/c15-14(9-2-4-11-13(6-9)18-11)16-7-8-1-3-10-12(5-8)17-10/h8-13H,1-7H2

InChIKey

YXALYBMHAYZKAP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2386-87-0

CID: 16949

Formula: C14H20O4

MW: 252.31

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	252.31
XLogP3	1.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	252.13615911
Monoisotopic Mass	252.13615911
Topological Polar Surface Area	51.4 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	356
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	6
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
PC49624	3,3,4,4,4-Pentafluorobutylamine
PC99558	3,3,4,4-Tetrafluorocyclobutene
PC3384-01	3,3,4,4-Tetrafluorotetrahydrofuran
PC450389	4-Bromo-3,3,4,4-tetrafluorobutyl 2,2,3,3,4,4,4-heptafluorobutyl carbonate
PC107581	4-Bromo-3,3,4,4-tetrafluorobutoxybenzene
PC0035	4,4,4-Trifluoro-3,3-dimethoxybutanol
PC48457	3,3,4,4,4-Pentafluorobutanoic acid
PC107158	3- (4-Bromo-3,3,4,4-tetrafluorobutoxy) propionitrile
PC107423	4- (4-Bromo-3,3,4,4-tetrafluorobutoxy) aniline
PC107426	4- (4-Bromo-3,3,4,4-tetrafluorobutoxy) phenol

Catalog	Name
sc-495837A	3,4-Epoxycyclohexylmethyl-3,4-epoxycyclohexanecarboxylate
FE160694-01	3,4-Epoxycyclohexylmethyl 3,4-epoxycyclohexanecarboxylate
TRC-E585920-10G	3,4-Epoxycyclohexylmethyl 3,4-Epoxycyclohexaneca
TRC-E585930-1G	3,4-Epoxycyclohexanecarboxylate Methyl Ester
24738-250	ERL-4221 (3,4-Epoxycyclohexanemethyl 3,4-epoxycyclohexanecarboxylate)
FA172437-01	Bis- (3,4-Epoxycyclohexylmethyl) adipate
B810001	Butyric Anhydride-3,3,3',3',4,4,4,4',4',4'-d10
163932	DL-Homocystine-3,3,3’,3’,4,4,4’,4’-d8
TRC-H591292-250MG	DL-Homocystine-3,3,3',3',4,4,4',4'-d8
TRC-H591362-1MG	L-Homocystine-3,3,3’,3’,4,4,4’,4’-d8