(2-oxo-1-prop-2-enylcyclohexyl) acetate

C11H16O3 — CID 10330305

IUPAC(2-oxo-1-prop-2-enylcyclohexyl) acetate
SMILESC=CCC1(OC(C)=O)CCCCC1=O
InChIInChI=1S/C11H16O3/c1-3-7-11(14-9(2)12)8-5-4-6-10(11)13/h3H,1,4-8H2,2H3
InChIKeyHFQLCWDLDQICIU-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.01
Rot. Bonds3

About (2-oxo-1-prop-2-enylcyclohexyl) acetate

(2-oxo-1-prop-2-enylcyclohexyl) acetate (PubChem CID 10330305) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is (2-oxo-1-prop-2-enylcyclohexyl) acetate.

Molecular Properties

Compound Name(2-oxo-1-prop-2-enylcyclohexyl) acetate
PubChem CID10330305
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name(2-oxo-1-prop-2-enylcyclohexyl) acetate
SMILESC=CCC1(OC(C)=O)CCCCC1=O
InChIInChI=1S/C11H16O3/c1-3-7-11(14-9(2)12)8-5-4-6-10(11)13/h3H,1,4-8H2,2H3
InChIKeyHFQLCWDLDQICIU-UHFFFAOYSA-N
XLogP2.01
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Allyl cyclohexyl propionate
CID 21862952
Tert-butyl 1-prop-2-enylcyclohexane-1-carboxylate
CID 24178681
[(1R)-1-acetyl-3,4-dimethylidenecyclohexyl] acetate
CID 135082395
[1-[(E)-but-2-enoyl]cyclohexyl] acetate
CID 121009874
(1-Prop-2-enylcyclohexyl) butanoate
CID 22035508
(1-Ethylcyclohexyl) pent-4-enoate
CID 59620786
(1-Acetyl-4-methylcyclohex-3-en-1-yl) acetate
CID 101526883
(4-Ethenyl-1-methyl-2-oxocyclohexyl) acetate
CID 132084976
4-Methylpent-1-enyl 2-cyclohexyl-2-oxoacetate
CID 140995903
(1-Methyl-14-oxocyclotetradec-5-en-1-yl) acetate
CID 150822848
(1-Prop-2-enylcyclohexyl) pentanoate
CID 155229602
(1-Acetyl-4-methylcyclohex-3-en-1-yl) pentanoate
CID 155474130

Frequently Asked Questions

What is the IUPAC name of (2-oxo-1-prop-2-enylcyclohexyl) acetate?
The IUPAC name of (2-oxo-1-prop-2-enylcyclohexyl) acetate (CID 10330305) is (2-oxo-1-prop-2-enylcyclohexyl) acetate.
What is the SMILES notation for (2-oxo-1-prop-2-enylcyclohexyl) acetate?
The canonical SMILES for (2-oxo-1-prop-2-enylcyclohexyl) acetate is C=CCC1(OC(C)=O)CCCCC1=O.
What is the InChIKey of (2-oxo-1-prop-2-enylcyclohexyl) acetate?
The InChIKey is HFQLCWDLDQICIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-3-7-11(14-9(2)12)8-5-4-6-10(11)13/h3H,1,4-8H2,2H3.
What are the key properties of (2-oxo-1-prop-2-enylcyclohexyl) acetate?
(2-oxo-1-prop-2-enylcyclohexyl) acetate has a molecular weight of 196.25 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1-prop-2-enylcyclohexyl) acetate is sourced from PubChem (CID 10330305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).