1-nonylcyclopropane-1-carboxylic acid

C13H24O2 — CID 54124337

IUPAC1-nonylcyclopropane-1-carboxylic acid
SMILESCCCCCCCCCC1(C(=O)O)CC1
InChIInChI=1S/C13H24O2/c1-2-3-4-5-6-7-8-9-13(10-11-13)12(14)15/h2-11H2,1H3,(H,14,15)
InChIKeyNPXHDMJKLIZPSX-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.99
Rot. Bonds9

About 1-nonylcyclopropane-1-carboxylic acid

1-nonylcyclopropane-1-carboxylic acid (PubChem CID 54124337) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 1-nonylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-nonylcyclopropane-1-carboxylic acid
PubChem CID54124337
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name1-nonylcyclopropane-1-carboxylic acid
SMILESCCCCCCCCCC1(C(=O)O)CC1
InChIInChI=1S/C13H24O2/c1-2-3-4-5-6-7-8-9-13(10-11-13)12(14)15/h2-11H2,1H3,(H,14,15)
InChIKeyNPXHDMJKLIZPSX-UHFFFAOYSA-N
XLogP3.99
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 ≤ 53.99
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

1-octylcyclononane-1-carboxylic acid
CID 71245674
1-nonylcyclooctane-1-carboxylic acid
CID 80609308
1-(1-octylcyclopropyl)ethanone
CID 22042371
4-butyl-1-octylcyclohexane-1-carboxylic acid
CID 63403164
1-heptyl-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 65423946
3-dodecyloxolane-3-carboxylic acid
CID 63402957
3-hexylpyrrolidine-3-carboxylic acid
CID 63140617
1-pentyl-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 65425689
1-[5-(1-carboxycyclopentyl)pentyl]cyclopentane-1-carboxylic acid
CID 54469920
1-[5-(1-carboxycyclohexyl)pentyl]cyclohexane-1-carboxylic acid
CID 19090977
1-[12-(1-aminocyclopropyl)dodecyl]cyclopropane-1-carboxylic acid
CID 66828639
1-butyl-4-methylcyclohexane-1-carboxylic acid
CID 65395323

Frequently Asked Questions

What is the IUPAC name of 1-nonylcyclopropane-1-carboxylic acid?
The IUPAC name of 1-nonylcyclopropane-1-carboxylic acid (CID 54124337) is 1-nonylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-nonylcyclopropane-1-carboxylic acid?
The canonical SMILES for 1-nonylcyclopropane-1-carboxylic acid is CCCCCCCCCC1(C(=O)O)CC1.
What is the InChIKey of 1-nonylcyclopropane-1-carboxylic acid?
The InChIKey is NPXHDMJKLIZPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-2-3-4-5-6-7-8-9-13(10-11-13)12(14)15/h2-11H2,1H3,(H,14,15).
What are the key properties of 1-nonylcyclopropane-1-carboxylic acid?
1-nonylcyclopropane-1-carboxylic acid has a molecular weight of 212.33 g/mol, XLogP of 3.99, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nonylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 54124337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).