[(3S,5Z)-undeca-1,5-dien-3-yl] acetate

C13H22O2 — CID 11816646

IUPAC[(3S,5Z)-undeca-1,5-dien-3-yl] acetate
SMILESC=C[C@H](C/C=C\CCCCC)OC(C)=O
InChIInChI=1S/C13H22O2/c1-4-6-7-8-9-10-11-13(5-2)15-12(3)14/h5,9-10,13H,2,4,6-8,11H2,1,3H3/b10-9-/t13-/m1/s1
InChIKeyUGBVCTPSHZAOJV-ASCRHOAZSA-N
MW210.32 g/mol
LogP3.63
Rot. Bonds8

About [(3S,5Z)-undeca-1,5-dien-3-yl] acetate

[(3S,5Z)-undeca-1,5-dien-3-yl] acetate (PubChem CID 11816646) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is [(3S,5Z)-undeca-1,5-dien-3-yl] acetate.

Molecular Properties

Compound Name[(3S,5Z)-undeca-1,5-dien-3-yl] acetate
PubChem CID11816646
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name[(3S,5Z)-undeca-1,5-dien-3-yl] acetate
SMILESC=C[C@H](C/C=C\CCCCC)OC(C)=O
InChIInChI=1S/C13H22O2/c1-4-6-7-8-9-10-11-13(5-2)15-12(3)14/h5,9-10,13H,2,4,6-8,11H2,1,3H3/b10-9-/t13-/m1/s1
InChIKeyUGBVCTPSHZAOJV-ASCRHOAZSA-N
XLogP3.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.63
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 [(3S,5Z)-undeca-1,5-dien-3-yl] 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 [(3S,5Z)-undeca-1,5-dien-3-yl] acetate?
The IUPAC name of [(3S,5Z)-undeca-1,5-dien-3-yl] acetate (CID 11816646) is [(3S,5Z)-undeca-1,5-dien-3-yl] acetate.
What is the SMILES notation for [(3S,5Z)-undeca-1,5-dien-3-yl] acetate?
The canonical SMILES for [(3S,5Z)-undeca-1,5-dien-3-yl] acetate is C=C[C@H](C/C=C\CCCCC)OC(C)=O.
What is the InChIKey of [(3S,5Z)-undeca-1,5-dien-3-yl] acetate?
The InChIKey is UGBVCTPSHZAOJV-ASCRHOAZSA-N. The full InChI is InChI=1S/C13H22O2/c1-4-6-7-8-9-10-11-13(5-2)15-12(3)14/h5,9-10,13H,2,4,6-8,11H2,1,3H3/b10-9-/t13-/m1/s1.
What are the key properties of [(3S,5Z)-undeca-1,5-dien-3-yl] acetate?
[(3S,5Z)-undeca-1,5-dien-3-yl] acetate has a molecular weight of 210.32 g/mol, XLogP of 3.63, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,5Z)-undeca-1,5-dien-3-yl] acetate is sourced from PubChem (CID 11816646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).