2-cyclopropylnonanoic acid

C12H22O2 — CID 139682006

IUPAC2-cyclopropylnonanoic acid
SMILESCCCCCCCC(C(=O)O)C1CC1
InChIInChI=1S/C12H22O2/c1-2-3-4-5-6-7-11(12(13)14)10-8-9-10/h10-11H,2-9H2,1H3,(H,13,14)
InChIKeyQZVXJIRKGDSHJM-UHFFFAOYSA-N
MW198.31 g/mol
LogP3.46
Rot. Bonds8

About 2-cyclopropylnonanoic acid

2-cyclopropylnonanoic acid (PubChem CID 139682006) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-cyclopropylnonanoic acid.

Molecular Properties

Compound Name2-cyclopropylnonanoic acid
PubChem CID139682006
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name2-cyclopropylnonanoic acid
SMILESCCCCCCCC(C(=O)O)C1CC1
InChIInChI=1S/C12H22O2/c1-2-3-4-5-6-7-11(12(13)14)10-8-9-10/h10-11H,2-9H2,1H3,(H,13,14)
InChIKeyQZVXJIRKGDSHJM-UHFFFAOYSA-N
XLogP3.46
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.46
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

2-cyclopropylhexadecanoic acid
CID 67041212
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CID 22665117
2-cyclohexyldecanoic acid
CID 19004831
(2S)-2-cyclobutylheptanoic acid
CID 99988049
2-cyclobutylhexanoic acid
CID 102568246
2-(3-chlorocyclohexyl)tetradecanoic acid
CID 57003487
2,15-dicyclopropyl-16-methoxy-16-oxohexadecanoic acid
CID 66795678
2-(1-propylpiperidin-4-yl)hexanoic acid
CID 142749143
4-cyclopropylheptadecanoic acid
CID 68637833
2-cyclohexyl-4-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]butanoic acid
CID 160562637
1,2-dicyclohexylhexadecan-1-one
CID 142760088
2-icosylpropanedioic acid
CID 11582738

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropylnonanoic acid?
The IUPAC name of 2-cyclopropylnonanoic acid (CID 139682006) is 2-cyclopropylnonanoic acid.
What is the SMILES notation for 2-cyclopropylnonanoic acid?
The canonical SMILES for 2-cyclopropylnonanoic acid is CCCCCCCC(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropylnonanoic acid?
The InChIKey is QZVXJIRKGDSHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-2-3-4-5-6-7-11(12(13)14)10-8-9-10/h10-11H,2-9H2,1H3,(H,13,14).
What are the key properties of 2-cyclopropylnonanoic acid?
2-cyclopropylnonanoic acid has a molecular weight of 198.31 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropylnonanoic acid is sourced from PubChem (CID 139682006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).