(1-ethenylcyclohexyl) propanoate

C11H18O2 — CID 21115640

IUPAC(1-ethenylcyclohexyl) propanoate
SMILESC=CC1(OC(=O)CC)CCCCC1
InChIInChI=1S/C11H18O2/c1-3-10(12)13-11(4-2)8-6-5-7-9-11/h4H,2-3,5-9H2,1H3
InChIKeyKGTIWUFIPKHBSE-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.83
Rot. Bonds3

About (1-ethenylcyclohexyl) propanoate

(1-ethenylcyclohexyl) propanoate (PubChem CID 21115640) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (1-ethenylcyclohexyl) propanoate.

Molecular Properties

Compound Name(1-ethenylcyclohexyl) propanoate
PubChem CID21115640
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(1-ethenylcyclohexyl) propanoate
SMILESC=CC1(OC(=O)CC)CCCCC1
InChIInChI=1S/C11H18O2/c1-3-10(12)13-11(4-2)8-6-5-7-9-11/h4H,2-3,5-9H2,1H3
InChIKeyKGTIWUFIPKHBSE-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
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

(1-ethenylcyclopentyl) propanoate
CID 146487266
(1-ethenylcyclopentyl) 2,2-dimethylbutanoate
CID 121402444
1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 4-O-(1-ethenylcyclohexyl) butanedioate
CID 158330900
[1-(nitromethyl)cyclohexyl] propanoate
CID 23506315
(1-ethylcyclopentyl) 2-methylidenebut-3-enoate
CID 148827736
(1-propylcyclononyl) prop-2-enoate
CID 141276110
(1-ethenylcyclopropyl) prop-2-enoate
CID 22991067
CID 16684913
CID 16684913
(1-ethenylcycloheptyl)oxy-trimethylsilane
CID 15418564
[1-(3-ethylpentan-3-yl)cyclohexyl] prop-2-enoate
CID 66663238
(1-propa-1,2-dienylcyclooctyl) acetate
CID 102074040
(1-ethylcyclohexyl) cyclopropanecarboxylate
CID 147138971

Frequently Asked Questions

What is the IUPAC name of (1-ethenylcyclohexyl) propanoate?
The IUPAC name of (1-ethenylcyclohexyl) propanoate (CID 21115640) is (1-ethenylcyclohexyl) propanoate.
What is the SMILES notation for (1-ethenylcyclohexyl) propanoate?
The canonical SMILES for (1-ethenylcyclohexyl) propanoate is C=CC1(OC(=O)CC)CCCCC1.
What is the InChIKey of (1-ethenylcyclohexyl) propanoate?
The InChIKey is KGTIWUFIPKHBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-3-10(12)13-11(4-2)8-6-5-7-9-11/h4H,2-3,5-9H2,1H3.
What are the key properties of (1-ethenylcyclohexyl) propanoate?
(1-ethenylcyclohexyl) propanoate has a molecular weight of 182.26 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethenylcyclohexyl) propanoate is sourced from PubChem (CID 21115640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).