(3Z,6Z,10Z,12Z)-octadeca-3,6,10,12-tetraen-9-ol

C18H29O- — CID 91320303

IUPAC(3Z,6Z,10Z,12Z)-octadeca-3,6,10,12-tetraen-9-ol
SMILES[CH2-]CCCC/C=C\C=C/C(O)C/C=C\C/C=C\CC
InChIInChI=1S/C18H29O/c1-3-5-7-9-11-13-15-17-18(19)16-14-12-10-8-6-4-2/h6,8,11-15,17-19H,1,3-5,7,9-10,16H2,2H3/q-1/b8-6-,13-11-,14-12-,17-15-
InChIKeyZPWJCBISKOTQKK-JSEIFMOSSA-N
MW261.43 g/mol
LogP5.16
Rot. Bonds11

About (3Z,6Z,10Z,12Z)-octadeca-3,6,10,12-tetraen-9-ol

(3Z,6Z,10Z,12Z)-octadeca-3,6,10,12-tetraen-9-ol (PubChem CID 91320303) has the molecular formula C18H29O- and a molecular weight of 261.43 g/mol. Its IUPAC name is (3Z,6Z,10Z,12Z)-octadeca-3,6,10,12-tetraen-9-ol.

Molecular Properties

Compound Name(3Z,6Z,10Z,12Z)-octadeca-3,6,10,12-tetraen-9-ol
PubChem CID91320303
Molecular FormulaC18H29O-
Molecular Weight261.43 g/mol
Exact Mass261.22
IUPAC Name(3Z,6Z,10Z,12Z)-octadeca-3,6,10,12-tetraen-9-ol
SMILES[CH2-]CCCC/C=C\C=C/C(O)C/C=C\C/C=C\CC
InChIInChI=1S/C18H29O/c1-3-5-7-9-11-13-15-17-18(19)16-14-12-10-8-6-4-2/h6,8,11-15,17-19H,1,3-5,7,9-10,16H2,2H3/q-1/b8-6-,13-11-,14-12-,17-15-
InChIKeyZPWJCBISKOTQKK-JSEIFMOSSA-N
XLogP5.16
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.43
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3Z,6Z,10Z,12Z)-octadeca-3,6,10,12-tetraen-9-ol with MolForge

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Related Compounds

(3Z,7E,9Z,12Z)-octadeca-3,7,9,12-tetraen-6-ol
CID 89023941
(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
(5E,8E,11E,13E,15S,17E)-15-hydroxyicosa-5,8,11,13,17-pentaenoic acid
CID 71771411
11-hydroxyicosa-5,8,12,14,17-pentaenoic acid
CID 53394253
(9Z,11E,15Z)-13-hydroxyoctadeca-9,11,15-trienoic acid
CID 10469728
(9E,11E,15E)-13-hydroxyoctadeca-9,11,15-trienoic acid
CID 22041877
(4Z,7Z,10Z,12E,14R,16Z,19Z)-14-hydroxydocosa-4,7,10,12,16,19-hexaenoic acid
CID 52921999
(4E,7E,10E,13E,15E,19E)-17-hydroxydocosa-4,7,10,13,15,19-hexaenoic acid
CID 20839260
(3Z,6S,7E,9Z,12Z,14E,16S,18Z)-docosa-3,7,9,12,14,18-hexaene-6,16-diol
CID 87522953
(5E,8E,12E,14E)-11-hydroxyicosa-5,8,12,14-tetraenoic acid
CID 5353268
(2Z,5Z,7E,11Z,14Z)-9-hydroxyicosa-2,5,7,11,14-pentaenoic acid
CID 14056119

Frequently Asked Questions

What is the IUPAC name of (3Z,6Z,10Z,12Z)-octadeca-3,6,10,12-tetraen-9-ol?
The IUPAC name of (3Z,6Z,10Z,12Z)-octadeca-3,6,10,12-tetraen-9-ol (CID 91320303) is (3Z,6Z,10Z,12Z)-octadeca-3,6,10,12-tetraen-9-ol.
What is the SMILES notation for (3Z,6Z,10Z,12Z)-octadeca-3,6,10,12-tetraen-9-ol?
The canonical SMILES for (3Z,6Z,10Z,12Z)-octadeca-3,6,10,12-tetraen-9-ol is [CH2-]CCCC/C=C\C=C/C(O)C/C=C\C/C=C\CC.
What is the InChIKey of (3Z,6Z,10Z,12Z)-octadeca-3,6,10,12-tetraen-9-ol?
The InChIKey is ZPWJCBISKOTQKK-JSEIFMOSSA-N. The full InChI is InChI=1S/C18H29O/c1-3-5-7-9-11-13-15-17-18(19)16-14-12-10-8-6-4-2/h6,8,11-15,17-19H,1,3-5,7,9-10,16H2,2H3/q-1/b8-6-,13-11-,14-12-,17-15-.
What are the key properties of (3Z,6Z,10Z,12Z)-octadeca-3,6,10,12-tetraen-9-ol?
(3Z,6Z,10Z,12Z)-octadeca-3,6,10,12-tetraen-9-ol has a molecular weight of 261.43 g/mol, XLogP of 5.16, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,6Z,10Z,12Z)-octadeca-3,6,10,12-tetraen-9-ol is sourced from PubChem (CID 91320303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).