(7Z,9Z,11E)-6-hydroxy-13-methyloctadeca-7,9,11-trienoic acid

C19H32O3 — CID 90059451

IUPAC(7Z,9Z,11E)-6-hydroxy-13-methyloctadeca-7,9,11-trienoic acid
SMILESCCCCCC(C)/C=C/C=C\C=C/C(O)CCCCC(=O)O
InChIInChI=1S/C19H32O3/c1-3-4-7-12-17(2)13-8-5-6-9-14-18(20)15-10-11-16-19(21)22/h5-6,8-9,13-14,17-18,20H,3-4,7,10-12,15-16H2,1-2H3,(H,21,22)/b6-5-,13-8+,14-9-
InChIKeyYRIWWNPDYOIYCH-JCPZSIEVSA-N
MW308.46 g/mol
LogP4.88
Rot. Bonds13

About (7Z,9Z,11E)-6-hydroxy-13-methyloctadeca-7,9,11-trienoic acid

(7Z,9Z,11E)-6-hydroxy-13-methyloctadeca-7,9,11-trienoic acid (PubChem CID 90059451) has the molecular formula C19H32O3 and a molecular weight of 308.46 g/mol. Its IUPAC name is (7Z,9Z,11E)-6-hydroxy-13-methyloctadeca-7,9,11-trienoic acid.

Molecular Properties

Compound Name(7Z,9Z,11E)-6-hydroxy-13-methyloctadeca-7,9,11-trienoic acid
PubChem CID90059451
Molecular FormulaC19H32O3
Molecular Weight308.46 g/mol
Exact Mass308.24
IUPAC Name(7Z,9Z,11E)-6-hydroxy-13-methyloctadeca-7,9,11-trienoic acid
SMILESCCCCCC(C)/C=C/C=C\C=C/C(O)CCCCC(=O)O
InChIInChI=1S/C19H32O3/c1-3-4-7-12-17(2)13-8-5-6-9-14-18(20)15-10-11-16-19(21)22/h5-6,8-9,13-14,17-18,20H,3-4,7,10-12,15-16H2,1-2H3,(H,21,22)/b6-5-,13-8+,14-9-
InChIKeyYRIWWNPDYOIYCH-JCPZSIEVSA-N
XLogP4.88
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.46
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5S,6Z,8E,10E,12R)-5,12-dihydroxyicosa-6,8,10-trienoic acid
CID 14753472
(E,10R,13S)-10,13-dihydroxyicos-11-enoic acid
CID 10020286
(E,8R,11S)-8,11-dihydroxyoctadec-9-enoic acid
CID 10448375
(Z)-7,10-dihydroxyoctadec-8-enoic acid
CID 56776194
(E,10S,13S)-10,13-dihydroxyicos-11-enoic acid
CID 10315363
(6E,8Z,10S)-10-hydroxypentadeca-6,8-dienoic acid
CID 124636388
(11Z,13E,15R)-5,6,15-trihydroxyicosa-7,9,11,13-tetraenoic acid
CID 87507613
(10Z,12E,14R)-14-hydroxynonadeca-10,12-dienoic acid
CID 125480190
(6E,8E,10E,12E)-5,14,15-trihydroxyicosa-6,8,10,12-tetraenoic acid
CID 5353726
(9R,10E)-9-hydroxyoctadeca-10,12-dienoic acid
CID 170924408
(15S)-15-hydroxyicosa-11,13-dienoic acid
CID 6610219
(5R,6S,7E,9E,11Z,13E,15S)-5,6,15-trihydroxyicosa-7,9,11,13-tetraenoic acid
CID 51668907

Frequently Asked Questions

What is the IUPAC name of (7Z,9Z,11E)-6-hydroxy-13-methyloctadeca-7,9,11-trienoic acid?
The IUPAC name of (7Z,9Z,11E)-6-hydroxy-13-methyloctadeca-7,9,11-trienoic acid (CID 90059451) is (7Z,9Z,11E)-6-hydroxy-13-methyloctadeca-7,9,11-trienoic acid.
What is the SMILES notation for (7Z,9Z,11E)-6-hydroxy-13-methyloctadeca-7,9,11-trienoic acid?
The canonical SMILES for (7Z,9Z,11E)-6-hydroxy-13-methyloctadeca-7,9,11-trienoic acid is CCCCCC(C)/C=C/C=C\C=C/C(O)CCCCC(=O)O.
What is the InChIKey of (7Z,9Z,11E)-6-hydroxy-13-methyloctadeca-7,9,11-trienoic acid?
The InChIKey is YRIWWNPDYOIYCH-JCPZSIEVSA-N. The full InChI is InChI=1S/C19H32O3/c1-3-4-7-12-17(2)13-8-5-6-9-14-18(20)15-10-11-16-19(21)22/h5-6,8-9,13-14,17-18,20H,3-4,7,10-12,15-16H2,1-2H3,(H,21,22)/b6-5-,13-8+,14-9-.
What are the key properties of (7Z,9Z,11E)-6-hydroxy-13-methyloctadeca-7,9,11-trienoic acid?
(7Z,9Z,11E)-6-hydroxy-13-methyloctadeca-7,9,11-trienoic acid has a molecular weight of 308.46 g/mol, XLogP of 4.88, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z,9Z,11E)-6-hydroxy-13-methyloctadeca-7,9,11-trienoic acid is sourced from PubChem (CID 90059451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).