cis-ethyl (1S,2R)-2-ethenylcyclohexane-1-carboxylate

C11H18O2 — CID 11116684

IUPACcis-ethyl (1S,2R)-2-ethenylcyclohexane-1-carboxylate
SMILESC=C[C@H]1CCCC[C@@H]1C(=O)OCC
InChIInChI=1S/C11H18O2/c1-3-9-7-5-6-8-10(9)11(12)13-4-2/h3,9-10H,1,4-8H2,2H3/t9-,10-/m0/s1
InChIKeyPHRKQJYRHJZMHJ-UWVGGRQHSA-N
MW182.26 g/mol
LogP2.54
Rot. Bonds3

About cis-ethyl (1S,2R)-2-ethenylcyclohexane-1-carboxylate

cis-ethyl (1S,2R)-2-ethenylcyclohexane-1-carboxylate (PubChem CID 11116684) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is cis-ethyl (1S,2R)-2-ethenylcyclohexane-1-carboxylate.

Molecular Properties

Compound Namecis-ethyl (1S,2R)-2-ethenylcyclohexane-1-carboxylate
PubChem CID11116684
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Namecis-ethyl (1S,2R)-2-ethenylcyclohexane-1-carboxylate
SMILESC=C[C@H]1CCCC[C@@H]1C(=O)OCC
InChIInChI=1S/C11H18O2/c1-3-9-7-5-6-8-10(9)11(12)13-4-2/h3,9-10H,1,4-8H2,2H3/t9-,10-/m0/s1
InChIKeyPHRKQJYRHJZMHJ-UWVGGRQHSA-N
XLogP2.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Isobutyl 10-undecenoate
CID 79457
Ethylhexyl Oleate
CID 6438028
Cyclohexanecarboxylic acid, 2,2-dimethyl-6-methylene-, methyl ester
CID 11095260
Oxacyclopentadec-10-en-2-one, 13-methyl-
CID 56842685
Ethyl 4-methylidenecyclohexane-1-carboxylate
CID 15151435
9-Octadecenoic acid, 2-ethylhexyl ester, (9E)-
CID 6504747
13-Methyl-1-oxacyclopentadec-10-en-2-one
CID 54131551
Isopentyl undec-10-enoate
CID 82455
Fatty acids, C16-18 and C18-unsatd., 2-ethylhexyl esters
CID 117309
13-Docosenoic acid, 2-ethylhexyl ester, (Z)-
CID 20833813
2-Cyclohexene-1-acetic acid, ethyl ester
CID 10374822
Methyl 1-allylcyclohexanecarboxylate
CID 10932067

Frequently Asked Questions

What is the IUPAC name of cis-ethyl (1S,2R)-2-ethenylcyclohexane-1-carboxylate?
The IUPAC name of cis-ethyl (1S,2R)-2-ethenylcyclohexane-1-carboxylate (CID 11116684) is cis-ethyl (1S,2R)-2-ethenylcyclohexane-1-carboxylate.
What is the SMILES notation for cis-ethyl (1S,2R)-2-ethenylcyclohexane-1-carboxylate?
The canonical SMILES for cis-ethyl (1S,2R)-2-ethenylcyclohexane-1-carboxylate is C=C[C@H]1CCCC[C@@H]1C(=O)OCC.
What is the InChIKey of cis-ethyl (1S,2R)-2-ethenylcyclohexane-1-carboxylate?
The InChIKey is PHRKQJYRHJZMHJ-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H18O2/c1-3-9-7-5-6-8-10(9)11(12)13-4-2/h3,9-10H,1,4-8H2,2H3/t9-,10-/m0/s1.
What are the key properties of cis-ethyl (1S,2R)-2-ethenylcyclohexane-1-carboxylate?
cis-ethyl (1S,2R)-2-ethenylcyclohexane-1-carboxylate has a molecular weight of 182.26 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-ethyl (1S,2R)-2-ethenylcyclohexane-1-carboxylate is sourced from PubChem (CID 11116684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).