[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] pentanoate

C20H34O2 — CID 56935989

IUPAC[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] pentanoate
SMILESCCCCC(=O)OC/C=C(\C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C20H34O2/c1-6-7-14-20(21)22-16-15-19(5)13-9-12-18(4)11-8-10-17(2)3/h10,12,15H,6-9,11,13-14,16H2,1-5H3/b18-12+,19-15+
InChIKeyWLNFGKOLWOXXAF-XYAZGONESA-N
MW306.49 g/mol
LogP6.14
Rot. Bonds11

About [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] pentanoate

[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] pentanoate (PubChem CID 56935989) has the molecular formula C20H34O2 and a molecular weight of 306.49 g/mol. Its IUPAC name is [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] pentanoate.

Molecular Properties

Compound Name[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] pentanoate
PubChem CID56935989
Molecular FormulaC20H34O2
Molecular Weight306.49 g/mol
Exact Mass306.26
IUPAC Name[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] pentanoate
SMILESCCCCC(=O)OC/C=C(\C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C20H34O2/c1-6-7-14-20(21)22-16-15-19(5)13-9-12-18(4)11-8-10-17(2)3/h10,12,15H,6-9,11,13-14,16H2,1-5H3/b18-12+,19-15+
InChIKeyWLNFGKOLWOXXAF-XYAZGONESA-N
XLogP6.14
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.49
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] pentanoate 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 [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] pentanoate?
The IUPAC name of [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] pentanoate (CID 56935989) is [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] pentanoate.
What is the SMILES notation for [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] pentanoate?
The canonical SMILES for [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] pentanoate is CCCCC(=O)OC/C=C(\C)CC/C=C(\C)CCC=C(C)C.
What is the InChIKey of [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] pentanoate?
The InChIKey is WLNFGKOLWOXXAF-XYAZGONESA-N. The full InChI is InChI=1S/C20H34O2/c1-6-7-14-20(21)22-16-15-19(5)13-9-12-18(4)11-8-10-17(2)3/h10,12,15H,6-9,11,13-14,16H2,1-5H3/b18-12+,19-15+.
What are the key properties of [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] pentanoate?
[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] pentanoate has a molecular weight of 306.49 g/mol, XLogP of 6.14, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] pentanoate is sourced from PubChem (CID 56935989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).