(1-ethenyl-5-methyl-2-propan-2-ylcyclohexyl) acetate

C14H24O2 — CID 162745510

IUPAC(1-ethenyl-5-methyl-2-propan-2-ylcyclohexyl) acetate
SMILESC=CC1(OC(C)=O)CC(C)CCC1C(C)C
InChIInChI=1S/C14H24O2/c1-6-14(16-12(5)15)9-11(4)7-8-13(14)10(2)3/h6,10-11,13H,1,7-9H2,2-5H3
InChIKeyBOKMIQASHPIGCI-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.57
Rot. Bonds3

About (1-ethenyl-5-methyl-2-propan-2-ylcyclohexyl) acetate

(1-ethenyl-5-methyl-2-propan-2-ylcyclohexyl) acetate (PubChem CID 162745510) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is (1-ethenyl-5-methyl-2-propan-2-ylcyclohexyl) acetate.

Molecular Properties

Compound Name(1-ethenyl-5-methyl-2-propan-2-ylcyclohexyl) acetate
PubChem CID162745510
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name(1-ethenyl-5-methyl-2-propan-2-ylcyclohexyl) acetate
SMILESC=CC1(OC(C)=O)CC(C)CCC1C(C)C
InChIInChI=1S/C14H24O2/c1-6-14(16-12(5)15)9-11(4)7-8-13(14)10(2)3/h6,10-11,13H,1,7-9H2,2-5H3
InChIKeyBOKMIQASHPIGCI-UHFFFAOYSA-N
XLogP3.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1-ethenyl-5-methyl-2-propan-2-ylcyclohexyl) acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-ethenyl-5-methyl-2-propan-2-ylcyclohexyl) acetate?
The IUPAC name of (1-ethenyl-5-methyl-2-propan-2-ylcyclohexyl) acetate (CID 162745510) is (1-ethenyl-5-methyl-2-propan-2-ylcyclohexyl) acetate.
What is the SMILES notation for (1-ethenyl-5-methyl-2-propan-2-ylcyclohexyl) acetate?
The canonical SMILES for (1-ethenyl-5-methyl-2-propan-2-ylcyclohexyl) acetate is C=CC1(OC(C)=O)CC(C)CCC1C(C)C.
What is the InChIKey of (1-ethenyl-5-methyl-2-propan-2-ylcyclohexyl) acetate?
The InChIKey is BOKMIQASHPIGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-6-14(16-12(5)15)9-11(4)7-8-13(14)10(2)3/h6,10-11,13H,1,7-9H2,2-5H3.
What are the key properties of (1-ethenyl-5-methyl-2-propan-2-ylcyclohexyl) acetate?
(1-ethenyl-5-methyl-2-propan-2-ylcyclohexyl) acetate has a molecular weight of 224.34 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethenyl-5-methyl-2-propan-2-ylcyclohexyl) acetate is sourced from PubChem (CID 162745510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).