2-methoxycarbonyl-4-methylcyclohexane-1-carboxylic acid

C10H16O4 — CID 58841229

IUPAC2-methoxycarbonyl-4-methylcyclohexane-1-carboxylic acid
SMILESCOC(=O)C1CC(C)CCC1C(=O)O
InChIInChI=1S/C10H16O4/c1-6-3-4-7(9(11)12)8(5-6)10(13)14-2/h6-8H,3-5H2,1-2H3,(H,11,12)
InChIKeyAAWWPRGSNZZVGI-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.30
Rot. Bonds2

About 2-methoxycarbonyl-4-methylcyclohexane-1-carboxylic acid

2-methoxycarbonyl-4-methylcyclohexane-1-carboxylic acid (PubChem CID 58841229) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is 2-methoxycarbonyl-4-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-methoxycarbonyl-4-methylcyclohexane-1-carboxylic acid
PubChem CID58841229
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name2-methoxycarbonyl-4-methylcyclohexane-1-carboxylic acid
SMILESCOC(=O)C1CC(C)CCC1C(=O)O
InChIInChI=1S/C10H16O4/c1-6-3-4-7(9(11)12)8(5-6)10(13)14-2/h6-8H,3-5H2,1-2H3,(H,11,12)
InChIKeyAAWWPRGSNZZVGI-UHFFFAOYSA-N
XLogP1.30
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methoxycarbonyl-4-methylcyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methoxycarbonyl-4-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 2-methoxycarbonyl-4-methylcyclohexane-1-carboxylic acid (CID 58841229) is 2-methoxycarbonyl-4-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-methoxycarbonyl-4-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 2-methoxycarbonyl-4-methylcyclohexane-1-carboxylic acid is COC(=O)C1CC(C)CCC1C(=O)O.
What is the InChIKey of 2-methoxycarbonyl-4-methylcyclohexane-1-carboxylic acid?
The InChIKey is AAWWPRGSNZZVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-6-3-4-7(9(11)12)8(5-6)10(13)14-2/h6-8H,3-5H2,1-2H3,(H,11,12).
What are the key properties of 2-methoxycarbonyl-4-methylcyclohexane-1-carboxylic acid?
2-methoxycarbonyl-4-methylcyclohexane-1-carboxylic acid has a molecular weight of 200.23 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxycarbonyl-4-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 58841229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).