4-(10-methylundecan-3-yloxycarbonyl)cyclohexane-1-carboxylic acid

C20H36O4 — CID 141262823

IUPAC4-(10-methylundecan-3-yloxycarbonyl)cyclohexane-1-carboxylic acid
SMILESCCC(CCCCCCC(C)C)OC(=O)C1CCC(C(=O)O)CC1
InChIInChI=1S/C20H36O4/c1-4-18(10-8-6-5-7-9-15(2)3)24-20(23)17-13-11-16(12-14-17)19(21)22/h15-18H,4-14H2,1-3H3,(H,21,22)
InChIKeyKGXLFWLVVGDVJE-UHFFFAOYSA-N
MW340.50 g/mol
LogP5.20
Rot. Bonds11

About 4-(10-methylundecan-3-yloxycarbonyl)cyclohexane-1-carboxylic acid

4-(10-methylundecan-3-yloxycarbonyl)cyclohexane-1-carboxylic acid (PubChem CID 141262823) has the molecular formula C20H36O4 and a molecular weight of 340.50 g/mol. Its IUPAC name is 4-(10-methylundecan-3-yloxycarbonyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(10-methylundecan-3-yloxycarbonyl)cyclohexane-1-carboxylic acid
PubChem CID141262823
Molecular FormulaC20H36O4
Molecular Weight340.50 g/mol
Exact Mass340.26
IUPAC Name4-(10-methylundecan-3-yloxycarbonyl)cyclohexane-1-carboxylic acid
SMILESCCC(CCCCCCC(C)C)OC(=O)C1CCC(C(=O)O)CC1
InChIInChI=1S/C20H36O4/c1-4-18(10-8-6-5-7-9-15(2)3)24-20(23)17-13-11-16(12-14-17)19(21)22/h15-18H,4-14H2,1-3H3,(H,21,22)
InChIKeyKGXLFWLVVGDVJE-UHFFFAOYSA-N
XLogP5.20
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.50
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(10-methylundecan-3-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-(9-methyldecan-3-yloxycarbonyl)cyclohexane-1-carboxylic acid
CID 141262736
4-(2,17-dimethyloctadecan-7-yloxycarbonyl)cyclohexane-1-carboxylic acid
CID 141262571
4-(19-methylicosan-9-yloxycarbonyl)cyclohexane-1-carboxylic acid
CID 141262721
4-(16-methylheptadecan-7-yloxycarbonyl)cyclohexane-1-carboxylic acid
CID 141262658
4-(17-methyloctadecan-8-yloxycarbonyl)cyclohexane-1-carboxylic acid
CID 141262545
4-(15-methylhexadecan-5-yloxycarbonyl)cyclohexane-1-carboxylic acid
CID 141262481
4-(2-methylicosan-7-yloxycarbonyl)cyclohexane-1-carboxylic acid
CID 141263050
4-(2-methylpentadecan-5-yloxycarbonyl)cyclohexane-1-carboxylic acid
CID 141262865
4-(9-methyldecan-5-yloxycarbonyl)cyclohexane-1-carboxylic acid
CID 141262315
4-heptadecan-6-yloxycarbonylcyclohexane-1-carboxylic acid
CID 141262448
tridecan-3-yl cyclopropanecarboxylate
CID 549494
tetradecan-3-yl cyclopropanecarboxylate
CID 549496

Frequently Asked Questions

What is the IUPAC name of 4-(10-methylundecan-3-yloxycarbonyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(10-methylundecan-3-yloxycarbonyl)cyclohexane-1-carboxylic acid (CID 141262823) is 4-(10-methylundecan-3-yloxycarbonyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(10-methylundecan-3-yloxycarbonyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(10-methylundecan-3-yloxycarbonyl)cyclohexane-1-carboxylic acid is CCC(CCCCCCC(C)C)OC(=O)C1CCC(C(=O)O)CC1.
What is the InChIKey of 4-(10-methylundecan-3-yloxycarbonyl)cyclohexane-1-carboxylic acid?
The InChIKey is KGXLFWLVVGDVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36O4/c1-4-18(10-8-6-5-7-9-15(2)3)24-20(23)17-13-11-16(12-14-17)19(21)22/h15-18H,4-14H2,1-3H3,(H,21,22).
What are the key properties of 4-(10-methylundecan-3-yloxycarbonyl)cyclohexane-1-carboxylic acid?
4-(10-methylundecan-3-yloxycarbonyl)cyclohexane-1-carboxylic acid has a molecular weight of 340.50 g/mol, XLogP of 5.20, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(10-methylundecan-3-yloxycarbonyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 141262823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).