16-hydroxy-4-methylhexadeca-8,11-dienoic acid

C17H30O3 — CID 54532471

IUPAC16-hydroxy-4-methylhexadeca-8,11-dienoic acid
SMILESCC(CCCC=CCC=CCCCCO)CCC(=O)O
InChIInChI=1S/C17H30O3/c1-16(13-14-17(19)20)12-10-8-6-4-2-3-5-7-9-11-15-18/h3-6,16,18H,2,7-15H2,1H3,(H,19,20)
InChIKeyYXMGCWFEWPRYIA-UHFFFAOYSA-N
MW282.42 g/mol
LogP4.32
Rot. Bonds13

About 16-hydroxy-4-methylhexadeca-8,11-dienoic acid

16-hydroxy-4-methylhexadeca-8,11-dienoic acid (PubChem CID 54532471) has the molecular formula C17H30O3 and a molecular weight of 282.42 g/mol. Its IUPAC name is 16-hydroxy-4-methylhexadeca-8,11-dienoic acid.

Molecular Properties

Compound Name16-hydroxy-4-methylhexadeca-8,11-dienoic acid
PubChem CID54532471
Molecular FormulaC17H30O3
Molecular Weight282.42 g/mol
Exact Mass282.22
IUPAC Name16-hydroxy-4-methylhexadeca-8,11-dienoic acid
SMILESCC(CCCC=CCC=CCCCCO)CCC(=O)O
InChIInChI=1S/C17H30O3/c1-16(13-14-17(19)20)12-10-8-6-4-2-3-5-7-9-11-15-18/h3-6,16,18H,2,7-15H2,1H3,(H,19,20)
InChIKeyYXMGCWFEWPRYIA-UHFFFAOYSA-N
XLogP4.32
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.42
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(10E,13E)-20-hydroxy-4-methylicosa-10,13-dienoic acid
CID 18981404
(9Z,12Z,15Z)-4-methyloctadeca-9,12,15-trienoic acid
CID 174445218
(14E,17E)-28-hydroxyoctacosa-14,17-dienoic acid
CID 18981442
(5E,8E,11Z,14E,17E)-25-hydroxypentacosa-5,8,11,14,17-pentaenoic acid
CID 134916945
(5E,8E,11Z,14E,17E)-24-hydroxytetracosa-5,8,11,14,17-pentaenoic acid
CID 134916944
(11E,14E)-22-hydroxydocosa-11,14-dienoic acid
CID 18981383
(13E,16E)-4-butyl-26-hydroxyhexacosa-13,16-dienoic acid
CID 18981419
22-hydroxy-4-propyldocosa-11,14-dienoic acid
CID 54529033
(E)-5-methyloctadec-9-enoic acid
CID 129219195
(5Z,9Z,12Z,15Z,18Z,21Z,34S)-34-methylhexatriaconta-5,9,12,15,18,21-hexaenoic acid
CID 52921771
(5Z,8Z)-14-methylpentadeca-5,8-dienoic acid
CID 168749471
(6E,8Z)-20-hydroxyicosa-6,8,11,14-tetraenoic acid
CID 88618058

Frequently Asked Questions

What is the IUPAC name of 16-hydroxy-4-methylhexadeca-8,11-dienoic acid?
The IUPAC name of 16-hydroxy-4-methylhexadeca-8,11-dienoic acid (CID 54532471) is 16-hydroxy-4-methylhexadeca-8,11-dienoic acid.
What is the SMILES notation for 16-hydroxy-4-methylhexadeca-8,11-dienoic acid?
The canonical SMILES for 16-hydroxy-4-methylhexadeca-8,11-dienoic acid is CC(CCCC=CCC=CCCCCO)CCC(=O)O.
What is the InChIKey of 16-hydroxy-4-methylhexadeca-8,11-dienoic acid?
The InChIKey is YXMGCWFEWPRYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O3/c1-16(13-14-17(19)20)12-10-8-6-4-2-3-5-7-9-11-15-18/h3-6,16,18H,2,7-15H2,1H3,(H,19,20).
What are the key properties of 16-hydroxy-4-methylhexadeca-8,11-dienoic acid?
16-hydroxy-4-methylhexadeca-8,11-dienoic acid has a molecular weight of 282.42 g/mol, XLogP of 4.32, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 16-hydroxy-4-methylhexadeca-8,11-dienoic acid is sourced from PubChem (CID 54532471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).