[(E)-3-cyclohexylprop-2-enyl] acetate

C11H18O2 — CID 10773780

IUPAC[(E)-3-cyclohexylprop-2-enyl] acetate
SMILESCC(=O)OC/C=C/C1CCCCC1
InChIInChI=1S/C11H18O2/c1-10(12)13-9-5-8-11-6-3-2-4-7-11/h5,8,11H,2-4,6-7,9H2,1H3/b8-5+
InChIKeyISHIVMHODHNUTK-VMPITWQZSA-N
MW182.26 g/mol
LogP2.69
Rot. Bonds3

About [(E)-3-cyclohexylprop-2-enyl] acetate

[(E)-3-cyclohexylprop-2-enyl] acetate (PubChem CID 10773780) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is [(E)-3-cyclohexylprop-2-enyl] acetate.

Molecular Properties

Compound Name[(E)-3-cyclohexylprop-2-enyl] acetate
PubChem CID10773780
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name[(E)-3-cyclohexylprop-2-enyl] acetate
SMILESCC(=O)OC/C=C/C1CCCCC1
InChIInChI=1S/C11H18O2/c1-10(12)13-9-5-8-11-6-3-2-4-7-11/h5,8,11H,2-4,6-7,9H2,1H3/b8-5+
InChIKeyISHIVMHODHNUTK-VMPITWQZSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-3-cyclohexylprop-2-enyl] acetate?
The IUPAC name of [(E)-3-cyclohexylprop-2-enyl] acetate (CID 10773780) is [(E)-3-cyclohexylprop-2-enyl] acetate.
What is the SMILES notation for [(E)-3-cyclohexylprop-2-enyl] acetate?
The canonical SMILES for [(E)-3-cyclohexylprop-2-enyl] acetate is CC(=O)OC/C=C/C1CCCCC1.
What is the InChIKey of [(E)-3-cyclohexylprop-2-enyl] acetate?
The InChIKey is ISHIVMHODHNUTK-VMPITWQZSA-N. The full InChI is InChI=1S/C11H18O2/c1-10(12)13-9-5-8-11-6-3-2-4-7-11/h5,8,11H,2-4,6-7,9H2,1H3/b8-5+.
What are the key properties of [(E)-3-cyclohexylprop-2-enyl] acetate?
[(E)-3-cyclohexylprop-2-enyl] acetate has a molecular weight of 182.26 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-cyclohexylprop-2-enyl] acetate is sourced from PubChem (CID 10773780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).