4-hydroxydodec-11-enoic acid

C12H22O3 — CID 139805445

IUPAC4-hydroxydodec-11-enoic acid
SMILESC=CCCCCCCC(O)CCC(=O)O
InChIInChI=1S/C12H22O3/c1-2-3-4-5-6-7-8-11(13)9-10-12(14)15/h2,11,13H,1,3-10H2,(H,14,15)
InChIKeyHKMMBGLJCDPIBM-UHFFFAOYSA-N
MW214.30 g/mol
LogP2.74
Rot. Bonds10

About 4-hydroxydodec-11-enoic acid

4-hydroxydodec-11-enoic acid (PubChem CID 139805445) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is 4-hydroxydodec-11-enoic acid.

Molecular Properties

Compound Name4-hydroxydodec-11-enoic acid
PubChem CID139805445
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name4-hydroxydodec-11-enoic acid
SMILESC=CCCCCCCC(O)CCC(=O)O
InChIInChI=1S/C12H22O3/c1-2-3-4-5-6-7-8-11(13)9-10-12(14)15/h2,11,13H,1,3-10H2,(H,14,15)
InChIKeyHKMMBGLJCDPIBM-UHFFFAOYSA-N
XLogP2.74
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
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

(5R)-5-hydroxydec-9-enoic acid
CID 97184595
dec-9-enoic acid;3-hydroxydec-9-enoic acid
CID 159851284
3-hydroxydec-9-enoic acid
CID 19010677
2-oct-7-enylpentanedioic acid
CID 45359271
3-hydroxyhenicosa-12,20-dienoic acid
CID 139805434
2-carboxyethyl-(2-hydroxyoct-7-enyl)-dimethylazanium
CID 101276722
bis(propane-1,2,3-triol);undec-10-enoic acid
CID 175703798
tritriacont-32-enoic acid
CID 54063641
nonadec-18-enoic acid
CID 543857
octadec-17-enoic acid
CID 5312444
hept-6-enoic acid;undec-10-enoic acid
CID 87675195
4,12-dihydroxydodecanoic acid
CID 90020174

Frequently Asked Questions

What is the IUPAC name of 4-hydroxydodec-11-enoic acid?
The IUPAC name of 4-hydroxydodec-11-enoic acid (CID 139805445) is 4-hydroxydodec-11-enoic acid.
What is the SMILES notation for 4-hydroxydodec-11-enoic acid?
The canonical SMILES for 4-hydroxydodec-11-enoic acid is C=CCCCCCCC(O)CCC(=O)O.
What is the InChIKey of 4-hydroxydodec-11-enoic acid?
The InChIKey is HKMMBGLJCDPIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-2-3-4-5-6-7-8-11(13)9-10-12(14)15/h2,11,13H,1,3-10H2,(H,14,15).
What are the key properties of 4-hydroxydodec-11-enoic acid?
4-hydroxydodec-11-enoic acid has a molecular weight of 214.30 g/mol, XLogP of 2.74, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxydodec-11-enoic acid is sourced from PubChem (CID 139805445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).