(3Z,7E,9Z,12Z)-octadeca-3,7,9,12-tetraen-6-ol

C18H30O — CID 89023941

IUPAC(3Z,7E,9Z,12Z)-octadeca-3,7,9,12-tetraen-6-ol
SMILESCC/C=C\CC(O)/C=C/C=C\C/C=C\CCCCC
InChIInChI=1S/C18H30O/c1-3-5-7-8-9-10-11-12-13-15-17-18(19)16-14-6-4-2/h6,9-10,12-15,17-19H,3-5,7-8,11,16H2,1-2H3/b10-9-,13-12-,14-6-,17-15+
InChIKeyDURIZVOEBLGXAP-BSFWWIGASA-N
MW262.44 g/mol
LogP5.34
Rot. Bonds11

About (3Z,7E,9Z,12Z)-octadeca-3,7,9,12-tetraen-6-ol

(3Z,7E,9Z,12Z)-octadeca-3,7,9,12-tetraen-6-ol (PubChem CID 89023941) has the molecular formula C18H30O and a molecular weight of 262.44 g/mol. Its IUPAC name is (3Z,7E,9Z,12Z)-octadeca-3,7,9,12-tetraen-6-ol.

Molecular Properties

Compound Name(3Z,7E,9Z,12Z)-octadeca-3,7,9,12-tetraen-6-ol
PubChem CID89023941
Molecular FormulaC18H30O
Molecular Weight262.44 g/mol
Exact Mass262.23
IUPAC Name(3Z,7E,9Z,12Z)-octadeca-3,7,9,12-tetraen-6-ol
SMILESCC/C=C\CC(O)/C=C/C=C\C/C=C\CCCCC
InChIInChI=1S/C18H30O/c1-3-5-7-8-9-10-11-12-13-15-17-18(19)16-14-6-4-2/h6,9-10,12-15,17-19H,3-5,7-8,11,16H2,1-2H3/b10-9-,13-12-,14-6-,17-15+
InChIKeyDURIZVOEBLGXAP-BSFWWIGASA-N
XLogP5.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.44
LogP ≤ 55.34
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'}

Analyze (3Z,7E,9Z,12Z)-octadeca-3,7,9,12-tetraen-6-ol with MolForge

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Related Compounds

(3Z,6S,7E,9Z,12Z,14E,16S,18Z)-docosa-3,7,9,12,14,18-hexaene-6,16-diol
CID 87522953
7-hydroxydocosa-4,8,10,13,16-pentaenoic acid
CID 73021200
(2Z,5Z,7E,11Z,14Z)-9-hydroxyicosa-2,5,7,11,14-pentaenoic acid
CID 14056119
(10R)-10-hydroxydocosa-7,11,13,16,19-pentaenoic acid
CID 71446611
(8Z,11Z,13E,15S,17Z)-15-hydroxyicosa-8,11,13,17-tetraenoic acid
CID 118042403
11-hydroxyicosa-5,8,12,14,17-pentaenoic acid
CID 53394253
(5E,8E,11E,13E,15S,17E)-15-hydroxyicosa-5,8,11,13,17-pentaenoic acid
CID 71771411
(4E,6Z,9Z,12Z)-octadeca-4,6,9,12-tetraen-3-ol
CID 89023935
(3Z,6Z,10Z,12Z)-octadeca-3,6,10,12-tetraen-9-ol
CID 91320303
(5E,8E,12E,14E)-11-hydroxyicosa-5,8,12,14-tetraenoic acid
CID 5353268
sodium (14Z,17Z,20Z,23Z,25E,27S,29Z)-27-hydroxydotriaconta-14,17,20,23,25,29-hexaenoate
CID 153310855
12-hydroxyicosa-5,8,10,14-tetraeneperoxoic acid
CID 3399283

Frequently Asked Questions

What is the IUPAC name of (3Z,7E,9Z,12Z)-octadeca-3,7,9,12-tetraen-6-ol?
The IUPAC name of (3Z,7E,9Z,12Z)-octadeca-3,7,9,12-tetraen-6-ol (CID 89023941) is (3Z,7E,9Z,12Z)-octadeca-3,7,9,12-tetraen-6-ol.
What is the SMILES notation for (3Z,7E,9Z,12Z)-octadeca-3,7,9,12-tetraen-6-ol?
The canonical SMILES for (3Z,7E,9Z,12Z)-octadeca-3,7,9,12-tetraen-6-ol is CC/C=C\CC(O)/C=C/C=C\C/C=C\CCCCC.
What is the InChIKey of (3Z,7E,9Z,12Z)-octadeca-3,7,9,12-tetraen-6-ol?
The InChIKey is DURIZVOEBLGXAP-BSFWWIGASA-N. The full InChI is InChI=1S/C18H30O/c1-3-5-7-8-9-10-11-12-13-15-17-18(19)16-14-6-4-2/h6,9-10,12-15,17-19H,3-5,7-8,11,16H2,1-2H3/b10-9-,13-12-,14-6-,17-15+.
What are the key properties of (3Z,7E,9Z,12Z)-octadeca-3,7,9,12-tetraen-6-ol?
(3Z,7E,9Z,12Z)-octadeca-3,7,9,12-tetraen-6-ol has a molecular weight of 262.44 g/mol, XLogP of 5.34, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,7E,9Z,12Z)-octadeca-3,7,9,12-tetraen-6-ol is sourced from PubChem (CID 89023941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).