9-cyclopropyl-4-methylnonanoic acid

C13H24O2 — CID 142774647

IUPAC9-cyclopropyl-4-methylnonanoic acid
SMILESCC(CCCCCC1CC1)CCC(=O)O
InChIInChI=1S/C13H24O2/c1-11(7-10-13(14)15)5-3-2-4-6-12-8-9-12/h11-12H,2-10H2,1H3,(H,14,15)
InChIKeyDSCGGHPDXVWNFF-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.85
Rot. Bonds9

About 9-cyclopropyl-4-methylnonanoic acid

9-cyclopropyl-4-methylnonanoic acid (PubChem CID 142774647) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 9-cyclopropyl-4-methylnonanoic acid.

Molecular Properties

Compound Name9-cyclopropyl-4-methylnonanoic acid
PubChem CID142774647
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name9-cyclopropyl-4-methylnonanoic acid
SMILESCC(CCCCCC1CC1)CCC(=O)O
InChIInChI=1S/C13H24O2/c1-11(7-10-13(14)15)5-3-2-4-6-12-8-9-12/h11-12H,2-10H2,1H3,(H,14,15)
InChIKeyDSCGGHPDXVWNFF-UHFFFAOYSA-N
XLogP3.85
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methylhexadecanedioic acid;dihydrochloride
CID 89463142
4-methyltetradecanoic acid
CID 23454322
19-methylheptatriacontanedioic acid
CID 141009772
4,8,12-trimethylnonadecanoic acid
CID 141295751
7-methylnonylcyclopropane
CID 123906260
6-(3-cyclopentylpropylcarbamoylamino)-4-methylhexanoic acid
CID 106005327
(7-cyclopentyl-3-methylheptyl)cyclopentane
CID 123466678
4,8-dimethylundecanoic acid
CID 25230729
8-cyclobutyloctanoic acid
CID 72551210
7-amino-4-methylheptanoic acid
CID 57310581
12,17-dimethyloctadecanoic acid
CID 123475021
4,8-dimethyldodecanoic acid
CID 5282617

Frequently Asked Questions

What is the IUPAC name of 9-cyclopropyl-4-methylnonanoic acid?
The IUPAC name of 9-cyclopropyl-4-methylnonanoic acid (CID 142774647) is 9-cyclopropyl-4-methylnonanoic acid.
What is the SMILES notation for 9-cyclopropyl-4-methylnonanoic acid?
The canonical SMILES for 9-cyclopropyl-4-methylnonanoic acid is CC(CCCCCC1CC1)CCC(=O)O.
What is the InChIKey of 9-cyclopropyl-4-methylnonanoic acid?
The InChIKey is DSCGGHPDXVWNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-11(7-10-13(14)15)5-3-2-4-6-12-8-9-12/h11-12H,2-10H2,1H3,(H,14,15).
What are the key properties of 9-cyclopropyl-4-methylnonanoic acid?
9-cyclopropyl-4-methylnonanoic acid has a molecular weight of 212.33 g/mol, XLogP of 3.85, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopropyl-4-methylnonanoic acid is sourced from PubChem (CID 142774647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).