14-hydroxy-15-methylhexadec-15-enoic acid

C17H32O3 — CID 551190

IUPAC14-hydroxy-15-methylhexadec-15-enoic acid
SMILESC=C(C)C(O)CCCCCCCCCCCCC(=O)O
InChIInChI=1S/C17H32O3/c1-15(2)16(18)13-11-9-7-5-3-4-6-8-10-12-14-17(19)20/h16,18H,1,3-14H2,2H3,(H,19,20)
InChIKeyOJWJUQYXLZLEKN-UHFFFAOYSA-N
MW284.44 g/mol
LogP4.69
Rot. Bonds14

About 14-hydroxy-15-methylhexadec-15-enoic acid

14-hydroxy-15-methylhexadec-15-enoic acid (PubChem CID 551190) has the molecular formula C17H32O3 and a molecular weight of 284.44 g/mol. Its IUPAC name is 14-hydroxy-15-methylhexadec-15-enoic acid.

Molecular Properties

Compound Name14-hydroxy-15-methylhexadec-15-enoic acid
PubChem CID551190
Molecular FormulaC17H32O3
Molecular Weight284.44 g/mol
Exact Mass284.24
IUPAC Name14-hydroxy-15-methylhexadec-15-enoic acid
SMILESC=C(C)C(O)CCCCCCCCCCCCC(=O)O
InChIInChI=1S/C17H32O3/c1-15(2)16(18)13-11-9-7-5-3-4-6-8-10-12-14-17(19)20/h16,18H,1,3-14H2,2H3,(H,19,20)
InChIKeyOJWJUQYXLZLEKN-UHFFFAOYSA-N
XLogP4.69
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 54.69
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

5-hydroxy-6-methylhept-6-enoic acid
CID 22417308
2-hydroxynonanedioic acid
CID 12760708
2-hydroxyheptanedioic acid
CID 160889869
15-hydroxy-16-methoxy-16-oxohexadecanoic acid
CID 71336808
2-hydroxyoctadecanoic acid;octadecanoic acid
CID 87989363
20-hydroxyhenicosanoic acid
CID 19591814
19-hydroxyicosanoic acid
CID 14535566
hexane-1,1-diol;tetradecanedioic acid
CID 175798727
dodecane-1,1-diol;bis(dodecanoic acid)
CID 121388000
decanedioic acid;tetradecane-1,1-diol
CID 175902897
dodecane-1,1-diol;hexanedioic acid
CID 160695318
7,8-dihydroxyhexadecanedioic acid
CID 14556981

Frequently Asked Questions

What is the IUPAC name of 14-hydroxy-15-methylhexadec-15-enoic acid?
The IUPAC name of 14-hydroxy-15-methylhexadec-15-enoic acid (CID 551190) is 14-hydroxy-15-methylhexadec-15-enoic acid.
What is the SMILES notation for 14-hydroxy-15-methylhexadec-15-enoic acid?
The canonical SMILES for 14-hydroxy-15-methylhexadec-15-enoic acid is C=C(C)C(O)CCCCCCCCCCCCC(=O)O.
What is the InChIKey of 14-hydroxy-15-methylhexadec-15-enoic acid?
The InChIKey is OJWJUQYXLZLEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O3/c1-15(2)16(18)13-11-9-7-5-3-4-6-8-10-12-14-17(19)20/h16,18H,1,3-14H2,2H3,(H,19,20).
What are the key properties of 14-hydroxy-15-methylhexadec-15-enoic acid?
14-hydroxy-15-methylhexadec-15-enoic acid has a molecular weight of 284.44 g/mol, XLogP of 4.69, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14-hydroxy-15-methylhexadec-15-enoic acid is sourced from PubChem (CID 551190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).