1,2-dimethyl-2-pentylcyclopentane-1-carboxylic acid

C13H24O2 — CID 175391095

IUPAC1,2-dimethyl-2-pentylcyclopentane-1-carboxylic acid
SMILESCCCCCC1(C)CCCC1(C)C(=O)O
InChIInChI=1S/C13H24O2/c1-4-5-6-8-12(2)9-7-10-13(12,3)11(14)15/h4-10H2,1-3H3,(H,14,15)
InChIKeyVNGWPUMSSLZLJG-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.85
Rot. Bonds5

About 1,2-dimethyl-2-pentylcyclopentane-1-carboxylic acid

1,2-dimethyl-2-pentylcyclopentane-1-carboxylic acid (PubChem CID 175391095) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 1,2-dimethyl-2-pentylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1,2-dimethyl-2-pentylcyclopentane-1-carboxylic acid
PubChem CID175391095
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name1,2-dimethyl-2-pentylcyclopentane-1-carboxylic acid
SMILESCCCCCC1(C)CCCC1(C)C(=O)O
InChIInChI=1S/C13H24O2/c1-4-5-6-8-12(2)9-7-10-13(12,3)11(14)15/h4-10H2,1-3H3,(H,14,15)
InChIKeyVNGWPUMSSLZLJG-UHFFFAOYSA-N
XLogP3.85
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-2-pentylcyclopentane-1-carboxylic acid?
The IUPAC name of 1,2-dimethyl-2-pentylcyclopentane-1-carboxylic acid (CID 175391095) is 1,2-dimethyl-2-pentylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 1,2-dimethyl-2-pentylcyclopentane-1-carboxylic acid?
The canonical SMILES for 1,2-dimethyl-2-pentylcyclopentane-1-carboxylic acid is CCCCCC1(C)CCCC1(C)C(=O)O.
What is the InChIKey of 1,2-dimethyl-2-pentylcyclopentane-1-carboxylic acid?
The InChIKey is VNGWPUMSSLZLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-4-5-6-8-12(2)9-7-10-13(12,3)11(14)15/h4-10H2,1-3H3,(H,14,15).
What are the key properties of 1,2-dimethyl-2-pentylcyclopentane-1-carboxylic acid?
1,2-dimethyl-2-pentylcyclopentane-1-carboxylic acid has a molecular weight of 212.33 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-2-pentylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 175391095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).