4-(2-methylhexan-2-yloxycarbonyl)cyclohexane-1-carboxylic acid

C15H26O4 — CID 141263047

IUPAC4-(2-methylhexan-2-yloxycarbonyl)cyclohexane-1-carboxylic acid
SMILESCCCCC(C)(C)OC(=O)C1CCC(C(=O)O)CC1
InChIInChI=1S/C15H26O4/c1-4-5-10-15(2,3)19-14(18)12-8-6-11(7-9-12)13(16)17/h11-12H,4-10H2,1-3H3,(H,16,17)
InChIKeyOAWQZNXPYBZBJM-UHFFFAOYSA-N
MW270.37 g/mol
LogP3.39
Rot. Bonds6

About 4-(2-methylhexan-2-yloxycarbonyl)cyclohexane-1-carboxylic acid

4-(2-methylhexan-2-yloxycarbonyl)cyclohexane-1-carboxylic acid (PubChem CID 141263047) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is 4-(2-methylhexan-2-yloxycarbonyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(2-methylhexan-2-yloxycarbonyl)cyclohexane-1-carboxylic acid
PubChem CID141263047
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Name4-(2-methylhexan-2-yloxycarbonyl)cyclohexane-1-carboxylic acid
SMILESCCCCC(C)(C)OC(=O)C1CCC(C(=O)O)CC1
InChIInChI=1S/C15H26O4/c1-4-5-10-15(2,3)19-14(18)12-8-6-11(7-9-12)13(16)17/h11-12H,4-10H2,1-3H3,(H,16,17)
InChIKeyOAWQZNXPYBZBJM-UHFFFAOYSA-N
XLogP3.39
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2-methylhexan-2-yloxycarbonyl)cyclohexane-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

Related Compounds

4-(2,8-dimethylnonan-2-yloxycarbonyl)cyclohexane-1-carboxylic acid
CID 141262964
3-(2-methyldodecan-2-yloxycarbonyl)cyclohexane-1-carboxylic acid
CID 141262915
2-(2-methylhexan-2-yloxycarbonyl)cyclohexane-1-carboxylic acid
CID 141262655
bis(2-methylhexan-2-yl) 7,8-dioxabicyclo[4.2.0]octane-2,5-dicarboxylate
CID 139914237
cyclohexane-1,4-dicarboxylic acid;octane
CID 174889638
4-[4-(4-butoxycarbonylcyclohexanecarbonyl)oxybutoxycarbonyl]cyclohexane-1-carboxylic acid
CID 118066352
4-hexoxycarbonylcyclohexane-1-carboxylic acid
CID 66983917
4-heptoxycarbonylcyclohexane-1-carboxylic acid
CID 66984396
4-tridecoxycarbonylcyclohexane-1-carboxylic acid
CID 141262604
1-O-butyl 4-O-tert-butyl cyclohexane-1,4-dicarboxylate
CID 66984653
1-(5-amino-2-methylpentan-2-yl)oxycarbonylpiperidine-4-carboxylic acid
CID 70832750
(4-iodo-2-methylbutan-2-yl) cyclohexanecarboxylate
CID 89208476

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylhexan-2-yloxycarbonyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(2-methylhexan-2-yloxycarbonyl)cyclohexane-1-carboxylic acid (CID 141263047) is 4-(2-methylhexan-2-yloxycarbonyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(2-methylhexan-2-yloxycarbonyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(2-methylhexan-2-yloxycarbonyl)cyclohexane-1-carboxylic acid is CCCCC(C)(C)OC(=O)C1CCC(C(=O)O)CC1.
What is the InChIKey of 4-(2-methylhexan-2-yloxycarbonyl)cyclohexane-1-carboxylic acid?
The InChIKey is OAWQZNXPYBZBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O4/c1-4-5-10-15(2,3)19-14(18)12-8-6-11(7-9-12)13(16)17/h11-12H,4-10H2,1-3H3,(H,16,17).
What are the key properties of 4-(2-methylhexan-2-yloxycarbonyl)cyclohexane-1-carboxylic acid?
4-(2-methylhexan-2-yloxycarbonyl)cyclohexane-1-carboxylic acid has a molecular weight of 270.37 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylhexan-2-yloxycarbonyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 141263047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).