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

C15H26O4 — CID 141262655

IUPAC2-(2-methylhexan-2-yloxycarbonyl)cyclohexane-1-carboxylic acid
SMILESCCCCC(C)(C)OC(=O)C1CCCCC1C(=O)O
InChIInChI=1S/C15H26O4/c1-4-5-10-15(2,3)19-14(18)12-9-7-6-8-11(12)13(16)17/h11-12H,4-10H2,1-3H3,(H,16,17)
InChIKeyHLZBXDRXHQWLQP-UHFFFAOYSA-N
MW270.37 g/mol
LogP3.39
Rot. Bonds6

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

2-(2-methylhexan-2-yloxycarbonyl)cyclohexane-1-carboxylic acid (PubChem CID 141262655) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-(2-methylhexan-2-yloxycarbonyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-methylhexan-2-yloxycarbonyl)cyclohexane-1-carboxylic acid
PubChem CID141262655
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Name2-(2-methylhexan-2-yloxycarbonyl)cyclohexane-1-carboxylic acid
SMILESCCCCC(C)(C)OC(=O)C1CCCCC1C(=O)O
InChIInChI=1S/C15H26O4/c1-4-5-10-15(2,3)19-14(18)12-9-7-6-8-11(12)13(16)17/h11-12H,4-10H2,1-3H3,(H,16,17)
InChIKeyHLZBXDRXHQWLQP-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 2-(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

2-(3-methylnonan-3-yloxycarbonyl)cyclohexane-1-carboxylic acid
CID 69473641
2-(2-methyl-4-propylnonan-2-yl)oxycarbonylcyclohexane-1-carboxylic acid
CID 141262883
4-(2-methylhexan-2-yloxycarbonyl)cyclohexane-1-carboxylic acid
CID 141263047
bis(2-methylhexan-2-yl) 7,8-dioxabicyclo[4.2.0]octane-2,5-dicarboxylate
CID 139914237
3-(2-methyldodecan-2-yloxycarbonyl)cyclohexane-1-carboxylic acid
CID 141262915
2-(2,3,3-trimethylbutan-2-yloxycarbonyl)cyclohexane-1-carboxylic acid
CID 141262826
2-hexoxycarbonylcyclohexane-1-carboxylic acid
CID 66983530
bis(2-butoxycarbonylcyclohexane-1-carboxylic acid);bis(hydroxy(trimethyl)silane);titanium
CID 155635723
2-O-tert-butyl 1-O-hexyl cyclohexane-1,2-dicarboxylate
CID 66983826
2-(3-propyloctoxycarbonyl)cyclohexane-1-carboxylic acid
CID 141262598
2-undecan-5-yloxycarbonylcyclohexane-1-carboxylic acid
CID 69471827
2-heptadecan-5-yloxycarbonylcyclohexane-1-carboxylic acid
CID 69473831

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylhexan-2-yloxycarbonyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 2-(2-methylhexan-2-yloxycarbonyl)cyclohexane-1-carboxylic acid (CID 141262655) is 2-(2-methylhexan-2-yloxycarbonyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(2-methylhexan-2-yloxycarbonyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(2-methylhexan-2-yloxycarbonyl)cyclohexane-1-carboxylic acid is CCCCC(C)(C)OC(=O)C1CCCCC1C(=O)O.
What is the InChIKey of 2-(2-methylhexan-2-yloxycarbonyl)cyclohexane-1-carboxylic acid?
The InChIKey is HLZBXDRXHQWLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O4/c1-4-5-10-15(2,3)19-14(18)12-9-7-6-8-11(12)13(16)17/h11-12H,4-10H2,1-3H3,(H,16,17).
What are the key properties of 2-(2-methylhexan-2-yloxycarbonyl)cyclohexane-1-carboxylic acid?
2-(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 2-(2-methylhexan-2-yloxycarbonyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 141262655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).