4-propylcyclononane-1-carboxylic acid

C13H24O2 — CID 123911377

IUPAC4-propylcyclononane-1-carboxylic acid
SMILESCCCC1CCCCCC(C(=O)O)CC1
InChIInChI=1S/C13H24O2/c1-2-6-11-7-4-3-5-8-12(10-9-11)13(14)15/h11-12H,2-10H2,1H3,(H,14,15)
InChIKeyUSQIKEGGHWDWCT-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.85
Rot. Bonds3

About 4-propylcyclononane-1-carboxylic acid

4-propylcyclononane-1-carboxylic acid (PubChem CID 123911377) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 4-propylcyclononane-1-carboxylic acid.

Molecular Properties

Compound Name4-propylcyclononane-1-carboxylic acid
PubChem CID123911377
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name4-propylcyclononane-1-carboxylic acid
SMILESCCCC1CCCCCC(C(=O)O)CC1
InChIInChI=1S/C13H24O2/c1-2-6-11-7-4-3-5-8-12(10-9-11)13(14)15/h11-12H,2-10H2,1H3,(H,14,15)
InChIKeyUSQIKEGGHWDWCT-UHFFFAOYSA-N
XLogP3.85
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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

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Related Compounds

4-[[(4-propylcycloheptyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79530082
1-(2-cyclohexylethyl)-4-[2-(4-propylcyclohexyl)ethyl]cyclohexane
CID 70430254
chloromethane;cyclohexanecarboxylic acid
CID 160928112
propylcyclotetradecane
CID 90991550
cyclohexanecarboxylic acid;4-methylcyclohexane-1-carboxylic acid
CID 66625513
formaldehyde;propylcyclohexane
CID 174845889
cyclohexanecarboxylic acid
CID 11286469
cyclooctadecane-1,7,13-tricarboxylic acid
CID 10715056
cyclotetracosanecarboxylic acid
CID 176986816
4-heptylcyclohexane-1-carboxylic acid;hydrochloride
CID 70374677
ethylcyclohexane;4-(4-methylcyclohexyl)cyclohexane-1-carboxylic acid
CID 145196204
cyclopropanecarboxylic acid;ethylcyclopropane
CID 70624610

Frequently Asked Questions

What is the IUPAC name of 4-propylcyclononane-1-carboxylic acid?
The IUPAC name of 4-propylcyclononane-1-carboxylic acid (CID 123911377) is 4-propylcyclononane-1-carboxylic acid.
What is the SMILES notation for 4-propylcyclononane-1-carboxylic acid?
The canonical SMILES for 4-propylcyclononane-1-carboxylic acid is CCCC1CCCCCC(C(=O)O)CC1.
What is the InChIKey of 4-propylcyclononane-1-carboxylic acid?
The InChIKey is USQIKEGGHWDWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-2-6-11-7-4-3-5-8-12(10-9-11)13(14)15/h11-12H,2-10H2,1H3,(H,14,15).
What are the key properties of 4-propylcyclononane-1-carboxylic acid?
4-propylcyclononane-1-carboxylic acid has a molecular weight of 212.33 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propylcyclononane-1-carboxylic acid is sourced from PubChem (CID 123911377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).