[(E)-dec-1-enyl] acetate

C12H22O2 — CID 13396781

IUPAC[(E)-dec-1-enyl] acetate
SMILESCCCCCCCC/C=C/OC(C)=O
InChIInChI=1S/C12H22O2/c1-3-4-5-6-7-8-9-10-11-14-12(2)13/h10-11H,3-9H2,1-2H3/b11-10+
InChIKeyJVUSAMNTRVLYOT-ZHACJKMWSA-N
MW198.31 g/mol
LogP3.81
Rot. Bonds8

About [(E)-dec-1-enyl] acetate

[(E)-dec-1-enyl] acetate (PubChem CID 13396781) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is [(E)-dec-1-enyl] acetate.

Molecular Properties

Compound Name[(E)-dec-1-enyl] acetate
PubChem CID13396781
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name[(E)-dec-1-enyl] acetate
SMILESCCCCCCCC/C=C/OC(C)=O
InChIInChI=1S/C12H22O2/c1-3-4-5-6-7-8-9-10-11-14-12(2)13/h10-11H,3-9H2,1-2H3/b11-10+
InChIKeyJVUSAMNTRVLYOT-ZHACJKMWSA-N
XLogP3.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [(E)-dec-1-enyl] 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 [(E)-dec-1-enyl] acetate?
The IUPAC name of [(E)-dec-1-enyl] acetate (CID 13396781) is [(E)-dec-1-enyl] acetate.
What is the SMILES notation for [(E)-dec-1-enyl] acetate?
The canonical SMILES for [(E)-dec-1-enyl] acetate is CCCCCCCC/C=C/OC(C)=O.
What is the InChIKey of [(E)-dec-1-enyl] acetate?
The InChIKey is JVUSAMNTRVLYOT-ZHACJKMWSA-N. The full InChI is InChI=1S/C12H22O2/c1-3-4-5-6-7-8-9-10-11-14-12(2)13/h10-11H,3-9H2,1-2H3/b11-10+.
What are the key properties of [(E)-dec-1-enyl] acetate?
[(E)-dec-1-enyl] acetate has a molecular weight of 198.31 g/mol, XLogP of 3.81, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-dec-1-enyl] acetate is sourced from PubChem (CID 13396781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).