(5E)-7-butyl-9-methylpentadeca-5,7,8-triene

C20H36 — CID 10934724

IUPAC(5E)-7-butyl-9-methylpentadeca-5,7,8-triene
SMILESCCCC/C=C/C(=C=C(C)CCCCCC)CCCC
InChIInChI=1S/C20H36/c1-5-8-11-13-15-19(4)18-20(16-10-7-3)17-14-12-9-6-2/h14,17H,5-13,15-16H2,1-4H3/b17-14+
InChIKeyCVXUDVPABBPYFZ-SAPNQHFASA-N
MW276.51 g/mol
LogP7.36
Rot. Bonds12

About (5E)-7-butyl-9-methylpentadeca-5,7,8-triene

(5E)-7-butyl-9-methylpentadeca-5,7,8-triene (PubChem CID 10934724) has the molecular formula C20H36 and a molecular weight of 276.51 g/mol. Its IUPAC name is (5E)-7-butyl-9-methylpentadeca-5,7,8-triene.

Molecular Properties

Compound Name(5E)-7-butyl-9-methylpentadeca-5,7,8-triene
PubChem CID10934724
Molecular FormulaC20H36
Molecular Weight276.51 g/mol
Exact Mass276.28
IUPAC Name(5E)-7-butyl-9-methylpentadeca-5,7,8-triene
SMILESCCCC/C=C/C(=C=C(C)CCCCCC)CCCC
InChIInChI=1S/C20H36/c1-5-8-11-13-15-19(4)18-20(16-10-7-3)17-14-12-9-6-2/h14,17H,5-13,15-16H2,1-4H3/b17-14+
InChIKeyCVXUDVPABBPYFZ-SAPNQHFASA-N
XLogP7.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.51
LogP ≤ 57.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Lycopene
CID 446925
(Z)-9-Tricosene
CID 5365075
Phytoene
CID 5280784
All-Trans-Phytofluene
CID 6436722
xi-Carotene
CID 5280788
Neurosporene
CID 5280789
(E,E)-4,8,12-Trimethyl-1,3,7,11-tridecatetraene
CID 6443227
15-cis-Phytoene
CID 9963391
Octadec-9-ene
CID 5364599
15,9'-Di-cis-phytofluene
CID 51351778
Prolycopene
CID 10918539
All-trans-3,4-didehydrolycopene
CID 16061227

Frequently Asked Questions

What is the IUPAC name of (5E)-7-butyl-9-methylpentadeca-5,7,8-triene?
The IUPAC name of (5E)-7-butyl-9-methylpentadeca-5,7,8-triene (CID 10934724) is (5E)-7-butyl-9-methylpentadeca-5,7,8-triene.
What is the SMILES notation for (5E)-7-butyl-9-methylpentadeca-5,7,8-triene?
The canonical SMILES for (5E)-7-butyl-9-methylpentadeca-5,7,8-triene is CCCC/C=C/C(=C=C(C)CCCCCC)CCCC.
What is the InChIKey of (5E)-7-butyl-9-methylpentadeca-5,7,8-triene?
The InChIKey is CVXUDVPABBPYFZ-SAPNQHFASA-N. The full InChI is InChI=1S/C20H36/c1-5-8-11-13-15-19(4)18-20(16-10-7-3)17-14-12-9-6-2/h14,17H,5-13,15-16H2,1-4H3/b17-14+.
What are the key properties of (5E)-7-butyl-9-methylpentadeca-5,7,8-triene?
(5E)-7-butyl-9-methylpentadeca-5,7,8-triene has a molecular weight of 276.51 g/mol, XLogP of 7.36, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-7-butyl-9-methylpentadeca-5,7,8-triene is sourced from PubChem (CID 10934724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).