ethyl 4-(4-ethenylcyclohexyl)cyclohexane-1-carboxylate

C17H28O2 — CID 89302696

IUPACethyl 4-(4-ethenylcyclohexyl)cyclohexane-1-carboxylate
SMILESC=CC1CCC(C2CCC(C(=O)OCC)CC2)CC1
InChIInChI=1S/C17H28O2/c1-3-13-5-7-14(8-6-13)15-9-11-16(12-10-15)17(18)19-4-2/h3,13-16H,1,4-12H2,2H3
InChIKeyOKCKUAZRTFYTLZ-UHFFFAOYSA-N
MW264.41 g/mol
LogP4.35
Rot. Bonds4

About ethyl 4-(4-ethenylcyclohexyl)cyclohexane-1-carboxylate

ethyl 4-(4-ethenylcyclohexyl)cyclohexane-1-carboxylate (PubChem CID 89302696) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is ethyl 4-(4-ethenylcyclohexyl)cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-ethenylcyclohexyl)cyclohexane-1-carboxylate
PubChem CID89302696
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Nameethyl 4-(4-ethenylcyclohexyl)cyclohexane-1-carboxylate
SMILESC=CC1CCC(C2CCC(C(=O)OCC)CC2)CC1
InChIInChI=1S/C17H28O2/c1-3-13-5-7-14(8-6-13)15-9-11-16(12-10-15)17(18)19-4-2/h3,13-16H,1,4-12H2,2H3
InChIKeyOKCKUAZRTFYTLZ-UHFFFAOYSA-N
XLogP4.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 54.35
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

ethyl 4-(4-ethoxycarbonylcyclohexyl)cyclohexane-1-carboxylate
CID 126501888
ethyl 4-[4-(4-prop-2-enoyloxybutoxycarbonyl)cyclohexyl]cyclohexane-1-carboxylate
CID 149289083
azane;ethyl cyclopropanecarboxylate;hydrochloride
CID 174491802
[4-(4-ethenylcyclohexyl)cyclohexyl] 4-(3-propylcyclopentyl)cyclohexane-1-carboxylate
CID 58555540
ethyl 4-chlorocyclohexane-1-carboxylate
CID 44558677
cis-ethyl (1R,3S)-3-formylcyclopentane-1-carboxylate
CID 10583280
diethyl cyclopentane-1,3-dicarboxylate
CID 66930159
ethyl 4-[(E)-chlorooxyiminomethyl]cyclohexane-1-carboxylate
CID 140570585
ethyl cyclobutanecarboxylate;formic acid
CID 158508137
6-ethoxycarbonyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxylic acid
CID 163840432
ethyl 4-(2-methylpropyl)cyclohexane-1-carboxylate
CID 148815962
ethyl cyclohexanecarboxylate;hydrochloride
CID 68985516

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-ethenylcyclohexyl)cyclohexane-1-carboxylate?
The IUPAC name of ethyl 4-(4-ethenylcyclohexyl)cyclohexane-1-carboxylate (CID 89302696) is ethyl 4-(4-ethenylcyclohexyl)cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 4-(4-ethenylcyclohexyl)cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 4-(4-ethenylcyclohexyl)cyclohexane-1-carboxylate is C=CC1CCC(C2CCC(C(=O)OCC)CC2)CC1.
What is the InChIKey of ethyl 4-(4-ethenylcyclohexyl)cyclohexane-1-carboxylate?
The InChIKey is OKCKUAZRTFYTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O2/c1-3-13-5-7-14(8-6-13)15-9-11-16(12-10-15)17(18)19-4-2/h3,13-16H,1,4-12H2,2H3.
What are the key properties of ethyl 4-(4-ethenylcyclohexyl)cyclohexane-1-carboxylate?
ethyl 4-(4-ethenylcyclohexyl)cyclohexane-1-carboxylate has a molecular weight of 264.41 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-ethenylcyclohexyl)cyclohexane-1-carboxylate is sourced from PubChem (CID 89302696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).