4-methylcyclopentane-1,2-dicarboxylic acid

C8H12O4 — CID 70334041

IUPAC4-methylcyclopentane-1,2-dicarboxylic acid
SMILESCC1CC(C(=O)O)C(C(=O)O)C1
InChIInChI=1S/C8H12O4/c1-4-2-5(7(9)10)6(3-4)8(11)12/h4-6H,2-3H2,1H3,(H,9,10)(H,11,12)
InChIKeyKPNLIOQRPMSQNQ-UHFFFAOYSA-N
MW172.18 g/mol
LogP0.82
Rot. Bonds2

About 4-methylcyclopentane-1,2-dicarboxylic acid

4-methylcyclopentane-1,2-dicarboxylic acid (PubChem CID 70334041) has the molecular formula C8H12O4 and a molecular weight of 172.18 g/mol. Its IUPAC name is 4-methylcyclopentane-1,2-dicarboxylic acid.

Molecular Properties

Compound Name4-methylcyclopentane-1,2-dicarboxylic acid
PubChem CID70334041
Molecular FormulaC8H12O4
Molecular Weight172.18 g/mol
Exact Mass172.07
IUPAC Name4-methylcyclopentane-1,2-dicarboxylic acid
SMILESCC1CC(C(=O)O)C(C(=O)O)C1
InChIInChI=1S/C8H12O4/c1-4-2-5(7(9)10)6(3-4)8(11)12/h4-6H,2-3H2,1H3,(H,9,10)(H,11,12)
InChIKeyKPNLIOQRPMSQNQ-UHFFFAOYSA-N
XLogP0.82
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methylcyclopentane-1,2-dicarboxylic acid?
The IUPAC name of 4-methylcyclopentane-1,2-dicarboxylic acid (CID 70334041) is 4-methylcyclopentane-1,2-dicarboxylic acid.
What is the SMILES notation for 4-methylcyclopentane-1,2-dicarboxylic acid?
The canonical SMILES for 4-methylcyclopentane-1,2-dicarboxylic acid is CC1CC(C(=O)O)C(C(=O)O)C1.
What is the InChIKey of 4-methylcyclopentane-1,2-dicarboxylic acid?
The InChIKey is KPNLIOQRPMSQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O4/c1-4-2-5(7(9)10)6(3-4)8(11)12/h4-6H,2-3H2,1H3,(H,9,10)(H,11,12).
What are the key properties of 4-methylcyclopentane-1,2-dicarboxylic acid?
4-methylcyclopentane-1,2-dicarboxylic acid has a molecular weight of 172.18 g/mol, XLogP of 0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylcyclopentane-1,2-dicarboxylic acid is sourced from PubChem (CID 70334041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).