6-hydroxy-5-methylundec-3-enoic acid

C12H22O3 — CID 139632743

IUPAC6-hydroxy-5-methylundec-3-enoic acid
SMILESCCCCCC(O)C(C)C=CCC(=O)O
InChIInChI=1S/C12H22O3/c1-3-4-5-8-11(13)10(2)7-6-9-12(14)15/h6-7,10-11,13H,3-5,8-9H2,1-2H3,(H,14,15)
InChIKeyJAGXRVOZZIYBFP-UHFFFAOYSA-N
MW214.30 g/mol
LogP2.59
Rot. Bonds8

About 6-hydroxy-5-methylundec-3-enoic acid

6-hydroxy-5-methylundec-3-enoic acid (PubChem CID 139632743) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is 6-hydroxy-5-methylundec-3-enoic acid.

Molecular Properties

Compound Name6-hydroxy-5-methylundec-3-enoic acid
PubChem CID139632743
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name6-hydroxy-5-methylundec-3-enoic acid
SMILESCCCCCC(O)C(C)C=CCC(=O)O
InChIInChI=1S/C12H22O3/c1-3-4-5-8-11(13)10(2)7-6-9-12(14)15/h6-7,10-11,13H,3-5,8-9H2,1-2H3,(H,14,15)
InChIKeyJAGXRVOZZIYBFP-UHFFFAOYSA-N
XLogP2.59
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 52.59
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'}

Analyze 6-hydroxy-5-methylundec-3-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(8S,9R)-9-hydroxy-8-methyltridec-6-enoic acid
CID 54091133
5-methylnon-3-enoic acid
CID 73071370
2-hexylhex-3-enedioic acid
CID 142465672
(2S,3R)-3-hydroxy-2-methyloctanal
CID 134965378
(E,6R)-6-hydroxydodec-3-enoic acid
CID 87722437
3-hydroxy-2-methyldecanal
CID 87290911
(E)-5,6-dimethyloct-3-enoic acid
CID 155168954
(E,7R,8S,18S)-7-hydroxy-8,18-dimethylicos-9-enoic acid
CID 162859448
acetic acid;pentadecane-2,3-diol
CID 175167474
(2S,3S)-3-hydroxy-2-methyloctadecanoic acid
CID 101438178
(3S,4R)-3-methylundec-1-en-4-ol
CID 10986975
(7S,8S)-7,8-dihydroxytetradecanoic acid
CID 101332605

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-methylundec-3-enoic acid?
The IUPAC name of 6-hydroxy-5-methylundec-3-enoic acid (CID 139632743) is 6-hydroxy-5-methylundec-3-enoic acid.
What is the SMILES notation for 6-hydroxy-5-methylundec-3-enoic acid?
The canonical SMILES for 6-hydroxy-5-methylundec-3-enoic acid is CCCCCC(O)C(C)C=CCC(=O)O.
What is the InChIKey of 6-hydroxy-5-methylundec-3-enoic acid?
The InChIKey is JAGXRVOZZIYBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-3-4-5-8-11(13)10(2)7-6-9-12(14)15/h6-7,10-11,13H,3-5,8-9H2,1-2H3,(H,14,15).
What are the key properties of 6-hydroxy-5-methylundec-3-enoic acid?
6-hydroxy-5-methylundec-3-enoic acid has a molecular weight of 214.30 g/mol, XLogP of 2.59, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-methylundec-3-enoic acid is sourced from PubChem (CID 139632743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).