(7E,9Z,12Z)-octadeca-7,9,12-trien-6-ol

C18H32O — CID 89023852

IUPAC(7E,9Z,12Z)-octadeca-7,9,12-trien-6-ol
SMILESCCCCC/C=C\C/C=C\C=C\C(O)CCCCC
InChIInChI=1S/C18H32O/c1-3-5-7-8-9-10-11-12-13-15-17-18(19)16-14-6-4-2/h9-10,12-13,15,17-19H,3-8,11,14,16H2,1-2H3/b10-9-,13-12-,17-15+
InChIKeyCWKZGMZBJLKUII-JJVHSIMPSA-N
MW264.45 g/mol
LogP5.57
Rot. Bonds12

About (7E,9Z,12Z)-octadeca-7,9,12-trien-6-ol

(7E,9Z,12Z)-octadeca-7,9,12-trien-6-ol (PubChem CID 89023852) has the molecular formula C18H32O and a molecular weight of 264.45 g/mol. Its IUPAC name is (7E,9Z,12Z)-octadeca-7,9,12-trien-6-ol.

Molecular Properties

Compound Name(7E,9Z,12Z)-octadeca-7,9,12-trien-6-ol
PubChem CID89023852
Molecular FormulaC18H32O
Molecular Weight264.45 g/mol
Exact Mass264.25
IUPAC Name(7E,9Z,12Z)-octadeca-7,9,12-trien-6-ol
SMILESCCCCC/C=C\C/C=C\C=C\C(O)CCCCC
InChIInChI=1S/C18H32O/c1-3-5-7-8-9-10-11-12-13-15-17-18(19)16-14-6-4-2/h9-10,12-13,15,17-19H,3-8,11,14,16H2,1-2H3/b10-9-,13-12-,17-15+
InChIKeyCWKZGMZBJLKUII-JJVHSIMPSA-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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Frequently Asked Questions

What is the IUPAC name of (7E,9Z,12Z)-octadeca-7,9,12-trien-6-ol?
The IUPAC name of (7E,9Z,12Z)-octadeca-7,9,12-trien-6-ol (CID 89023852) is (7E,9Z,12Z)-octadeca-7,9,12-trien-6-ol.
What is the SMILES notation for (7E,9Z,12Z)-octadeca-7,9,12-trien-6-ol?
The canonical SMILES for (7E,9Z,12Z)-octadeca-7,9,12-trien-6-ol is CCCCC/C=C\C/C=C\C=C\C(O)CCCCC.
What is the InChIKey of (7E,9Z,12Z)-octadeca-7,9,12-trien-6-ol?
The InChIKey is CWKZGMZBJLKUII-JJVHSIMPSA-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/h9-10,12-13,15,17-19H,3-8,11,14,16H2,1-2H3/b10-9-,13-12-,17-15+.
What are the key properties of (7E,9Z,12Z)-octadeca-7,9,12-trien-6-ol?
(7E,9Z,12Z)-octadeca-7,9,12-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 (7E,9Z,12Z)-octadeca-7,9,12-trien-6-ol is sourced from PubChem (CID 89023852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).