8-hydroxy-2-methylideneundecanoic acid

C12H22O3 — CID 91443089

IUPAC8-hydroxy-2-methylideneundecanoic acid
SMILESC=C(CCCCCC(O)CCC)C(=O)O
InChIInChI=1S/C12H22O3/c1-3-7-11(13)9-6-4-5-8-10(2)12(14)15/h11,13H,2-9H2,1H3,(H,14,15)
InChIKeyDCURIFDMCBHZEK-UHFFFAOYSA-N
MW214.30 g/mol
LogP2.74
Rot. Bonds9

About 8-hydroxy-2-methylideneundecanoic acid

8-hydroxy-2-methylideneundecanoic acid (PubChem CID 91443089) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is 8-hydroxy-2-methylideneundecanoic acid.

Molecular Properties

Compound Name8-hydroxy-2-methylideneundecanoic acid
PubChem CID91443089
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name8-hydroxy-2-methylideneundecanoic acid
SMILESC=C(CCCCCC(O)CCC)C(=O)O
InChIInChI=1S/C12H22O3/c1-3-7-11(13)9-6-4-5-8-10(2)12(14)15/h11,13H,2-9H2,1H3,(H,14,15)
InChIKeyDCURIFDMCBHZEK-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': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 8-hydroxy-2-methylideneundecanoic 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

9-hydroxyundec-10-enoic Acid
CID 10465398
Pantheric acid D
CID 170990538
Pantheric acid E
CID 170990539
Pantheric acid F
CID 170990540
2-decyl acrylic Acid
CID 5282682
(S)-9-Hydroxy-10-undecenoic acid
CID 73242170
(Z)-2-(5-hydroxyhex-yl)pent-2-enedioic acid
CID 101893002
(Z)-2-(7-hydroxyoctyl)pent-2-enedioic acid
CID 101893003
(Z)-2-(8-hydroxydecyl)pent-2-enedioic acid
CID 101893005
2-(7-Hydroxyoctyl)pent-2-enedioic acid
CID 162862424
2-(5-Hydroxyhexyl)pent-2-enedioic acid
CID 162949881
2-(8-Hydroxydecyl)pent-2-enedioic acid
CID 163084839

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-2-methylideneundecanoic acid?
The IUPAC name of 8-hydroxy-2-methylideneundecanoic acid (CID 91443089) is 8-hydroxy-2-methylideneundecanoic acid.
What is the SMILES notation for 8-hydroxy-2-methylideneundecanoic acid?
The canonical SMILES for 8-hydroxy-2-methylideneundecanoic acid is C=C(CCCCCC(O)CCC)C(=O)O.
What is the InChIKey of 8-hydroxy-2-methylideneundecanoic acid?
The InChIKey is DCURIFDMCBHZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-3-7-11(13)9-6-4-5-8-10(2)12(14)15/h11,13H,2-9H2,1H3,(H,14,15).
What are the key properties of 8-hydroxy-2-methylideneundecanoic acid?
8-hydroxy-2-methylideneundecanoic 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 8-hydroxy-2-methylideneundecanoic acid is sourced from PubChem (CID 91443089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).