(1E,3E,5E)-pentadeca-1,3,5-trien-1-ol

C15H26O — CID 18352229

IUPAC(1E,3E,5E)-pentadeca-1,3,5-trien-1-ol
SMILESCCCCCCCCC/C=C/C=C/C=C/O
InChIInChI=1S/C15H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h10-16H,2-9H2,1H3/b11-10+,13-12+,15-14+
InChIKeyNKWQBZNOKKDZRK-BAHYSTIISA-N
MW222.37 g/mol
LogP5.31
Rot. Bonds10

About (1E,3E,5E)-pentadeca-1,3,5-trien-1-ol

(1E,3E,5E)-pentadeca-1,3,5-trien-1-ol (PubChem CID 18352229) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is (1E,3E,5E)-pentadeca-1,3,5-trien-1-ol.

Molecular Properties

Compound Name(1E,3E,5E)-pentadeca-1,3,5-trien-1-ol
PubChem CID18352229
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name(1E,3E,5E)-pentadeca-1,3,5-trien-1-ol
SMILESCCCCCCCCC/C=C/C=C/C=C/O
InChIInChI=1S/C15H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h10-16H,2-9H2,1H3/b11-10+,13-12+,15-14+
InChIKeyNKWQBZNOKKDZRK-BAHYSTIISA-N
XLogP5.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500222.37
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 87558928
(1E,3E,5Z)-octadeca-1,3,5-trien-1-ol
CID 90419850
(1E)-octadeca-1,3,5-trien-1-ol
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tetradeca-1,3-dien-1-ol
CID 73437176
(1E)-octa-1,3-dien-1-ol
CID 154003406
(22E)-heptatetraconta-22,24-diene
CID 56629131
(5E,7E)-hexadeca-5,7-diene
CID 13032294
(5Z,7Z)-pentadeca-5,7-diene
CID 14270938
(1E,3Z)-8-[(2R,3S)-3-octyloxiran-2-yl]octa-1,3-dien-1-ol
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CID 175142934

Frequently Asked Questions

What is the IUPAC name of (1E,3E,5E)-pentadeca-1,3,5-trien-1-ol?
The IUPAC name of (1E,3E,5E)-pentadeca-1,3,5-trien-1-ol (CID 18352229) is (1E,3E,5E)-pentadeca-1,3,5-trien-1-ol.
What is the SMILES notation for (1E,3E,5E)-pentadeca-1,3,5-trien-1-ol?
The canonical SMILES for (1E,3E,5E)-pentadeca-1,3,5-trien-1-ol is CCCCCCCCC/C=C/C=C/C=C/O.
What is the InChIKey of (1E,3E,5E)-pentadeca-1,3,5-trien-1-ol?
The InChIKey is NKWQBZNOKKDZRK-BAHYSTIISA-N. The full InChI is InChI=1S/C15H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h10-16H,2-9H2,1H3/b11-10+,13-12+,15-14+.
What are the key properties of (1E,3E,5E)-pentadeca-1,3,5-trien-1-ol?
(1E,3E,5E)-pentadeca-1,3,5-trien-1-ol has a molecular weight of 222.37 g/mol, XLogP of 5.31, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E,5E)-pentadeca-1,3,5-trien-1-ol is sourced from PubChem (CID 18352229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).