7-ethenyldecyl acetate

C14H26O2 — CID 11096314

IUPAC7-ethenyldecyl acetate
SMILESC=CC(CCC)CCCCCCOC(C)=O
InChIInChI=1S/C14H26O2/c1-4-10-14(5-2)11-8-6-7-9-12-16-13(3)15/h5,14H,2,4,6-12H2,1,3H3
InChIKeyBKPZILNDBCPASD-UHFFFAOYSA-N
MW226.36 g/mol
LogP4.10
Rot. Bonds10

About 7-ethenyldecyl acetate

7-ethenyldecyl acetate (PubChem CID 11096314) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 7-ethenyldecyl acetate.

Molecular Properties

Compound Name7-ethenyldecyl acetate
PubChem CID11096314
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name7-ethenyldecyl acetate
SMILESC=CC(CCC)CCCCCCOC(C)=O
InChIInChI=1S/C14H26O2/c1-4-10-14(5-2)11-8-6-7-9-12-16-13(3)15/h5,14H,2,4,6-12H2,1,3H3
InChIKeyBKPZILNDBCPASD-UHFFFAOYSA-N
XLogP4.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-ethenyldecyl 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 7-ethenyldecyl acetate?
The IUPAC name of 7-ethenyldecyl acetate (CID 11096314) is 7-ethenyldecyl acetate.
What is the SMILES notation for 7-ethenyldecyl acetate?
The canonical SMILES for 7-ethenyldecyl acetate is C=CC(CCC)CCCCCCOC(C)=O.
What is the InChIKey of 7-ethenyldecyl acetate?
The InChIKey is BKPZILNDBCPASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-4-10-14(5-2)11-8-6-7-9-12-16-13(3)15/h5,14H,2,4,6-12H2,1,3H3.
What are the key properties of 7-ethenyldecyl acetate?
7-ethenyldecyl acetate has a molecular weight of 226.36 g/mol, XLogP of 4.10, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethenyldecyl acetate is sourced from PubChem (CID 11096314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).