1-propylcyclooctane-1-carboxylic acid

C12H22O2 — CID 80611944

IUPAC1-propylcyclooctane-1-carboxylic acid
SMILESCCCC1(C(=O)O)CCCCCCC1
InChIInChI=1S/C12H22O2/c1-2-8-12(11(13)14)9-6-4-3-5-7-10-12/h2-10H2,1H3,(H,13,14)
InChIKeyGBMISIIVNJSFQW-UHFFFAOYSA-N
MW198.31 g/mol
LogP3.60
Rot. Bonds3

About 1-propylcyclooctane-1-carboxylic acid

1-propylcyclooctane-1-carboxylic acid (PubChem CID 80611944) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-propylcyclooctane-1-carboxylic acid.

Molecular Properties

Compound Name1-propylcyclooctane-1-carboxylic acid
PubChem CID80611944
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name1-propylcyclooctane-1-carboxylic acid
SMILESCCCC1(C(=O)O)CCCCCCC1
InChIInChI=1S/C12H22O2/c1-2-8-12(11(13)14)9-6-4-3-5-7-10-12/h2-10H2,1H3,(H,13,14)
InChIKeyGBMISIIVNJSFQW-UHFFFAOYSA-N
XLogP3.60
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-octylcyclononane-1-carboxylic acid
CID 71245674
1-nonylcyclooctane-1-carboxylic acid
CID 80609308
1,1-dioxo-4-propylthiane-4-carboxylic acid
CID 118669196
1-[5-(1-carboxycyclohexyl)pentyl]cyclohexane-1-carboxylic acid
CID 19090977
1-(2-hydroxyethyl)cyclohexane-1-carboxylic acid
CID 3060307
1-(2-carboxyethyl)cyclodecane-1-carboxylic acid
CID 66633361
chloroethane;3-propylpiperidine-3-carboxylic acid
CID 158782961
4-propyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylic acid
CID 63126397
1-[5-(1-carboxycyclopentyl)pentyl]cyclopentane-1-carboxylic acid
CID 54469920
4-propylpiperidine-1,4-dicarboxylic acid
CID 91190681
1-acetyl-4-propylpiperidine-4-carboxylic acid
CID 63125183
1-(3-methylbut-3-enyl)cyclohexane-1-carboxylic acid
CID 114473263

Frequently Asked Questions

What is the IUPAC name of 1-propylcyclooctane-1-carboxylic acid?
The IUPAC name of 1-propylcyclooctane-1-carboxylic acid (CID 80611944) is 1-propylcyclooctane-1-carboxylic acid.
What is the SMILES notation for 1-propylcyclooctane-1-carboxylic acid?
The canonical SMILES for 1-propylcyclooctane-1-carboxylic acid is CCCC1(C(=O)O)CCCCCCC1.
What is the InChIKey of 1-propylcyclooctane-1-carboxylic acid?
The InChIKey is GBMISIIVNJSFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-2-8-12(11(13)14)9-6-4-3-5-7-10-12/h2-10H2,1H3,(H,13,14).
What are the key properties of 1-propylcyclooctane-1-carboxylic acid?
1-propylcyclooctane-1-carboxylic acid has a molecular weight of 198.31 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propylcyclooctane-1-carboxylic acid is sourced from PubChem (CID 80611944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).