8-hydroxy-2-methylidenenonanoic acid

C10H18O3 — CID 54254175

IUPAC8-hydroxy-2-methylidenenonanoic acid
SMILESC=C(CCCCCC(C)O)C(=O)O
InChIInChI=1S/C10H18O3/c1-8(10(12)13)6-4-3-5-7-9(2)11/h9,11H,1,3-7H2,2H3,(H,12,13)
InChIKeyQYVULGBSTYGXLK-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.96
Rot. Bonds7

About 8-hydroxy-2-methylidenenonanoic acid

8-hydroxy-2-methylidenenonanoic acid (PubChem CID 54254175) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 8-hydroxy-2-methylidenenonanoic acid.

Molecular Properties

Compound Name8-hydroxy-2-methylidenenonanoic acid
PubChem CID54254175
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name8-hydroxy-2-methylidenenonanoic acid
SMILESC=C(CCCCCC(C)O)C(=O)O
InChIInChI=1S/C10H18O3/c1-8(10(12)13)6-4-3-5-7-9(2)11/h9,11H,1,3-7H2,2H3,(H,12,13)
InChIKeyQYVULGBSTYGXLK-UHFFFAOYSA-N
XLogP1.96
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.96
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'}

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Related Compounds

(7R)-7-hydroxy-2-methylideneoctanoic acid
CID 158070673
2,11-dimethylidenedodecanedioic acid
CID 20542368
20-hydroxyhenicosanoic acid
CID 19591814
19-hydroxyicosanoic acid
CID 14535566
2-methylprop-2-enoic acid;octan-2-ol
CID 174649051
8,9-dibromo-2-methylideneoctadecanoic acid
CID 22753991
(9R,10R)-9,10-dibromo-2-methylideneoctadecanoic acid
CID 129383070
8-ethyl-2-methylidenehenicosanoic acid
CID 23001942
9,10-dibromo-2-methylideneheptadecanoic acid
CID 22753976
2-methylidenedecanoic acid;2-methylideneundecanoic acid
CID 87527808
hexanedioic acid;hexane-2,5-diol
CID 160536258
7-hydroxyoctanoate
CID 20848985

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-2-methylidenenonanoic acid?
The IUPAC name of 8-hydroxy-2-methylidenenonanoic acid (CID 54254175) is 8-hydroxy-2-methylidenenonanoic acid.
What is the SMILES notation for 8-hydroxy-2-methylidenenonanoic acid?
The canonical SMILES for 8-hydroxy-2-methylidenenonanoic acid is C=C(CCCCCC(C)O)C(=O)O.
What is the InChIKey of 8-hydroxy-2-methylidenenonanoic acid?
The InChIKey is QYVULGBSTYGXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-8(10(12)13)6-4-3-5-7-9(2)11/h9,11H,1,3-7H2,2H3,(H,12,13).
What are the key properties of 8-hydroxy-2-methylidenenonanoic acid?
8-hydroxy-2-methylidenenonanoic acid has a molecular weight of 186.25 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-2-methylidenenonanoic acid is sourced from PubChem (CID 54254175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).