(6S,7E,9Z,13Z)-octadeca-7,9,13-trien-6-ol

C18H32O — CID 58659705

IUPAC(6S,7E,9Z,13Z)-octadeca-7,9,13-trien-6-ol
SMILESCCCC/C=C\CC/C=C\C=C\[C@@H](O)CCCCC
InChIInChI=1S/C18H32O/c1-3-5-7-8-9-10-11-12-13-15-17-18(19)16-14-6-4-2/h8-9,12-13,15,17-19H,3-7,10-11,14,16H2,1-2H3/b9-8-,13-12-,17-15+/t18-/m0/s1
InChIKeyCVGYVQRRNCZKQA-NHOKOSQSSA-N
MW264.45 g/mol
LogP5.57
Rot. Bonds12

About (6S,7E,9Z,13Z)-octadeca-7,9,13-trien-6-ol

(6S,7E,9Z,13Z)-octadeca-7,9,13-trien-6-ol (PubChem CID 58659705) has the molecular formula C18H32O and a molecular weight of 264.45 g/mol. Its IUPAC name is (6S,7E,9Z,13Z)-octadeca-7,9,13-trien-6-ol.

Molecular Properties

Compound Name(6S,7E,9Z,13Z)-octadeca-7,9,13-trien-6-ol
PubChem CID58659705
Molecular FormulaC18H32O
Molecular Weight264.45 g/mol
Exact Mass264.25
IUPAC Name(6S,7E,9Z,13Z)-octadeca-7,9,13-trien-6-ol
SMILESCCCC/C=C\CC/C=C\C=C\[C@@H](O)CCCCC
InChIInChI=1S/C18H32O/c1-3-5-7-8-9-10-11-12-13-15-17-18(19)16-14-6-4-2/h8-9,12-13,15,17-19H,3-7,10-11,14,16H2,1-2H3/b9-8-,13-12-,17-15+/t18-/m0/s1
InChIKeyCVGYVQRRNCZKQA-NHOKOSQSSA-N
XLogP5.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.45
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Virol A
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(all-E)-1,8,10-Heptadecatriene-4,6-diyne-3,12-diol
CID 131752714
Cicudiol
CID 44359698
CID 89274
CID 89274
(E)-octacos-10-ene-1,12-diol
CID 131752969
(E)-2-Nonene-1,4-diol
CID 14106146
1,4-Dihydroxy-2-nonene
CID 54541195
(8E)-hexadeca-8,15-dien-4,6-diyne-3,10-diol
CID 162657324
(6S,7E,9E)-heptadeca-7,9-dien-11,13-diyn-6-ol
CID 10776713

Frequently Asked Questions

What is the IUPAC name of (6S,7E,9Z,13Z)-octadeca-7,9,13-trien-6-ol?
The IUPAC name of (6S,7E,9Z,13Z)-octadeca-7,9,13-trien-6-ol (CID 58659705) is (6S,7E,9Z,13Z)-octadeca-7,9,13-trien-6-ol.
What is the SMILES notation for (6S,7E,9Z,13Z)-octadeca-7,9,13-trien-6-ol?
The canonical SMILES for (6S,7E,9Z,13Z)-octadeca-7,9,13-trien-6-ol is CCCC/C=C\CC/C=C\C=C\[C@@H](O)CCCCC.
What is the InChIKey of (6S,7E,9Z,13Z)-octadeca-7,9,13-trien-6-ol?
The InChIKey is CVGYVQRRNCZKQA-NHOKOSQSSA-N. The full InChI is InChI=1S/C18H32O/c1-3-5-7-8-9-10-11-12-13-15-17-18(19)16-14-6-4-2/h8-9,12-13,15,17-19H,3-7,10-11,14,16H2,1-2H3/b9-8-,13-12-,17-15+/t18-/m0/s1.
What are the key properties of (6S,7E,9Z,13Z)-octadeca-7,9,13-trien-6-ol?
(6S,7E,9Z,13Z)-octadeca-7,9,13-trien-6-ol has a molecular weight of 264.45 g/mol, XLogP of 5.57, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,7E,9Z,13Z)-octadeca-7,9,13-trien-6-ol is sourced from PubChem (CID 58659705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).