11-hydroxydodec-6-enoic acid

C12H22O3 — CID 123616769

IUPAC11-hydroxydodec-6-enoic acid
SMILESCC(O)CCCC=CCCCCC(=O)O
InChIInChI=1S/C12H22O3/c1-11(13)9-7-5-3-2-4-6-8-10-12(14)15/h2-3,11,13H,4-10H2,1H3,(H,14,15)
InChIKeyITZOIWFEZIAVQW-UHFFFAOYSA-N
MW214.30 g/mol
LogP2.74
Rot. Bonds9

About 11-hydroxydodec-6-enoic acid

11-hydroxydodec-6-enoic acid (PubChem CID 123616769) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is 11-hydroxydodec-6-enoic acid.

Molecular Properties

Compound Name11-hydroxydodec-6-enoic acid
PubChem CID123616769
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name11-hydroxydodec-6-enoic acid
SMILESCC(O)CCCC=CCCCCC(=O)O
InChIInChI=1S/C12H22O3/c1-11(13)9-7-5-3-2-4-6-8-10-12(14)15/h2-3,11,13H,4-10H2,1H3,(H,14,15)
InChIKeyITZOIWFEZIAVQW-UHFFFAOYSA-N
XLogP2.74
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 52.74
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

20-hydroxyhenicosanoic acid
CID 19591814
19-hydroxyicosanoic acid
CID 14535566
hexanedioic acid;hexane-2,5-diol
CID 160536258
(Z)-16-methylheptadec-8-enoic acid
CID 10731639
24-methylpentacos-9-enoic acid
CID 57190789
(Z,14S)-14-methylhexadec-9-enoic acid
CID 163004277
heptakis(octadec-9-enoic acid);propane-1,2-diol
CID 173318203
(9Z,30Z)-nonatriaconta-9,30-dienedioic acid
CID 151731001
(9Z,33Z)-dotetraconta-9,33-dienedioic acid
CID 87211353
nonatriaconta-9,30-dienedioic acid
CID 151730999
tetradec-6-enedioic acid
CID 151545129
(5E,9E)-15-methylhexadeca-5,9-dienoic acid
CID 20847618

Frequently Asked Questions

What is the IUPAC name of 11-hydroxydodec-6-enoic acid?
The IUPAC name of 11-hydroxydodec-6-enoic acid (CID 123616769) is 11-hydroxydodec-6-enoic acid.
What is the SMILES notation for 11-hydroxydodec-6-enoic acid?
The canonical SMILES for 11-hydroxydodec-6-enoic acid is CC(O)CCCC=CCCCCC(=O)O.
What is the InChIKey of 11-hydroxydodec-6-enoic acid?
The InChIKey is ITZOIWFEZIAVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-11(13)9-7-5-3-2-4-6-8-10-12(14)15/h2-3,11,13H,4-10H2,1H3,(H,14,15).
What are the key properties of 11-hydroxydodec-6-enoic acid?
11-hydroxydodec-6-enoic acid has a molecular weight of 214.30 g/mol, XLogP of 2.74, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-hydroxydodec-6-enoic acid is sourced from PubChem (CID 123616769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).