1,2-dimethylcyclopentane-1-carboxylic acid

C8H14O2 — CID 12892605

IUPAC1,2-dimethylcyclopentane-1-carboxylic acid
SMILESCC1CCCC1(C)C(=O)O
InChIInChI=1S/C8H14O2/c1-6-4-3-5-8(6,2)7(9)10/h6H,3-5H2,1-2H3,(H,9,10)
InChIKeyJXMSFZKDBXONOL-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.90
Rot. Bonds1

About 1,2-dimethylcyclopentane-1-carboxylic acid

1,2-dimethylcyclopentane-1-carboxylic acid (PubChem CID 12892605) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 1,2-dimethylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1,2-dimethylcyclopentane-1-carboxylic acid
PubChem CID12892605
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name1,2-dimethylcyclopentane-1-carboxylic acid
SMILESCC1CCCC1(C)C(=O)O
InChIInChI=1S/C8H14O2/c1-6-4-3-5-8(6,2)7(9)10/h6H,3-5H2,1-2H3,(H,9,10)
InChIKeyJXMSFZKDBXONOL-UHFFFAOYSA-N
XLogP1.90
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylcyclopentane-1-carboxylic acid?
The IUPAC name of 1,2-dimethylcyclopentane-1-carboxylic acid (CID 12892605) is 1,2-dimethylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 1,2-dimethylcyclopentane-1-carboxylic acid?
The canonical SMILES for 1,2-dimethylcyclopentane-1-carboxylic acid is CC1CCCC1(C)C(=O)O.
What is the InChIKey of 1,2-dimethylcyclopentane-1-carboxylic acid?
The InChIKey is JXMSFZKDBXONOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-6-4-3-5-8(6,2)7(9)10/h6H,3-5H2,1-2H3,(H,9,10).
What are the key properties of 1,2-dimethylcyclopentane-1-carboxylic acid?
1,2-dimethylcyclopentane-1-carboxylic acid has a molecular weight of 142.20 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 12892605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).