(5E,9Z)-6,10,14-trimethylheptadeca-5,9,13-trien-2-one

C20H34O — CID 162428625

IUPAC(5E,9Z)-6,10,14-trimethylheptadeca-5,9,13-trien-2-one
SMILESCCCC(C)=CCC/C(C)=C\CC/C(C)=C/CCC(C)=O
InChIInChI=1S/C20H34O/c1-6-10-17(2)11-7-12-18(3)13-8-14-19(4)15-9-16-20(5)21/h11,13,15H,6-10,12,14,16H2,1-5H3/b17-11?,18-13-,19-15+
InChIKeyLFEYNSQAYKUOKG-RWOGIRFBSA-N
MW290.49 g/mol
LogP6.55
Rot. Bonds11

About (5E,9Z)-6,10,14-trimethylheptadeca-5,9,13-trien-2-one

(5E,9Z)-6,10,14-trimethylheptadeca-5,9,13-trien-2-one (PubChem CID 162428625) has the molecular formula C20H34O and a molecular weight of 290.49 g/mol. Its IUPAC name is (5E,9Z)-6,10,14-trimethylheptadeca-5,9,13-trien-2-one.

Molecular Properties

Compound Name(5E,9Z)-6,10,14-trimethylheptadeca-5,9,13-trien-2-one
PubChem CID162428625
Molecular FormulaC20H34O
Molecular Weight290.49 g/mol
Exact Mass290.26
IUPAC Name(5E,9Z)-6,10,14-trimethylheptadeca-5,9,13-trien-2-one
SMILESCCCC(C)=CCC/C(C)=C\CC/C(C)=C/CCC(C)=O
InChIInChI=1S/C20H34O/c1-6-10-17(2)11-7-12-18(3)13-8-14-19(4)15-9-16-20(5)21/h11,13,15H,6-10,12,14,16H2,1-5H3/b17-11?,18-13-,19-15+
InChIKeyLFEYNSQAYKUOKG-RWOGIRFBSA-N
XLogP6.55
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.49
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (5E,9Z)-6,10,14-trimethylheptadeca-5,9,13-trien-2-one with MolForge

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

Launch Full Analysis

Related Compounds

(5E,9E)-6,10-dimethyldodeca-5,9-dien-2-one
CID 5363460
(2E,6E,10E,14E)-3,7,11,15-tetramethyloctadeca-2,6,10,14-tetraenoic acid
CID 172767387
4,8-dimethyl-12-oxotrideca-4,8-dienal
CID 71381085
N-(2,6,10-trimethyl-14-oxopentadeca-2,6,10-trienyl)butanamide
CID 57095589
11-chloro-6,10-dimethylundeca-5,9-dien-2-one
CID 173363850
(2E,6E)-2,6-dimethyl-10-oxoundeca-2,6-dienal
CID 87827115
(2E,6E,10E,14E,18E)-2,6,10,14,18-pentamethyl-22-oxotricosa-2,6,10,14,18-pentaenamide
CID 15069733
(5E,9E)-11-methoxy-6,10-dimethylundeca-5,9-dien-2-one
CID 88828035
(E)-8-hydroxy-5-methyloct-5-en-2-one
CID 102321147
(3E)-4,8-dimethylundeca-1,3,7-triene
CID 172676180
3-methyl-7-oxooct-3-enal
CID 91303199
(2E,6E)-6-methyl-2-(4-methylpent-3-enyl)-10-oxoundeca-2,6-dienoic acid
CID 16655283

Frequently Asked Questions

What is the IUPAC name of (5E,9Z)-6,10,14-trimethylheptadeca-5,9,13-trien-2-one?
The IUPAC name of (5E,9Z)-6,10,14-trimethylheptadeca-5,9,13-trien-2-one (CID 162428625) is (5E,9Z)-6,10,14-trimethylheptadeca-5,9,13-trien-2-one.
What is the SMILES notation for (5E,9Z)-6,10,14-trimethylheptadeca-5,9,13-trien-2-one?
The canonical SMILES for (5E,9Z)-6,10,14-trimethylheptadeca-5,9,13-trien-2-one is CCCC(C)=CCC/C(C)=C\CC/C(C)=C/CCC(C)=O.
What is the InChIKey of (5E,9Z)-6,10,14-trimethylheptadeca-5,9,13-trien-2-one?
The InChIKey is LFEYNSQAYKUOKG-RWOGIRFBSA-N. The full InChI is InChI=1S/C20H34O/c1-6-10-17(2)11-7-12-18(3)13-8-14-19(4)15-9-16-20(5)21/h11,13,15H,6-10,12,14,16H2,1-5H3/b17-11?,18-13-,19-15+.
What are the key properties of (5E,9Z)-6,10,14-trimethylheptadeca-5,9,13-trien-2-one?
(5E,9Z)-6,10,14-trimethylheptadeca-5,9,13-trien-2-one has a molecular weight of 290.49 g/mol, XLogP of 6.55, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,9Z)-6,10,14-trimethylheptadeca-5,9,13-trien-2-one is sourced from PubChem (CID 162428625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).