4-(2,8-dimethylnonan-2-yloxycarbonyl)cyclohexane-1-carboxylic acid

C19H34O4 — CID 141262964

IUPAC4-(2,8-dimethylnonan-2-yloxycarbonyl)cyclohexane-1-carboxylic acid
SMILESCC(C)CCCCCC(C)(C)OC(=O)C1CCC(C(=O)O)CC1
InChIInChI=1S/C19H34O4/c1-14(2)8-6-5-7-13-19(3,4)23-18(22)16-11-9-15(10-12-16)17(20)21/h14-16H,5-13H2,1-4H3,(H,20,21)
InChIKeyYWIAZUQGZOQJAK-UHFFFAOYSA-N
MW326.48 g/mol
LogP4.81
Rot. Bonds9

About 4-(2,8-dimethylnonan-2-yloxycarbonyl)cyclohexane-1-carboxylic acid

4-(2,8-dimethylnonan-2-yloxycarbonyl)cyclohexane-1-carboxylic acid (PubChem CID 141262964) has the molecular formula C19H34O4 and a molecular weight of 326.48 g/mol. Its IUPAC name is 4-(2,8-dimethylnonan-2-yloxycarbonyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(2,8-dimethylnonan-2-yloxycarbonyl)cyclohexane-1-carboxylic acid
PubChem CID141262964
Molecular FormulaC19H34O4
Molecular Weight326.48 g/mol
Exact Mass326.25
IUPAC Name4-(2,8-dimethylnonan-2-yloxycarbonyl)cyclohexane-1-carboxylic acid
SMILESCC(C)CCCCCC(C)(C)OC(=O)C1CCC(C(=O)O)CC1
InChIInChI=1S/C19H34O4/c1-14(2)8-6-5-7-13-19(3,4)23-18(22)16-11-9-15(10-12-16)17(20)21/h14-16H,5-13H2,1-4H3,(H,20,21)
InChIKeyYWIAZUQGZOQJAK-UHFFFAOYSA-N
XLogP4.81
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(2,8-dimethylnonan-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-methylhexan-2-yloxycarbonyl)cyclohexane-1-carboxylic acid
CID 141263047
4-(2,17-dimethyloctadecan-7-yloxycarbonyl)cyclohexane-1-carboxylic acid
CID 141262571
4-(2,14-dimethylpentadecan-3-yloxycarbonyl)cyclohexane-1-carboxylic acid
CID 141262490
4-(10-methylundecan-3-yloxycarbonyl)cyclohexane-1-carboxylic acid
CID 141262823
ethane-1,2-diol;4-(10-methylundecoxycarbonyl)cyclohexane-1-carboxylic acid
CID 174499300
4-(9-methyldecan-3-yloxycarbonyl)cyclohexane-1-carboxylic acid
CID 141262736
4-(16-methylheptadecan-7-yloxycarbonyl)cyclohexane-1-carboxylic acid
CID 141262658
4-(19-methylicosan-9-yloxycarbonyl)cyclohexane-1-carboxylic acid
CID 141262721
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
3-(2-methyldodecan-2-yloxycarbonyl)cyclohexane-1-carboxylic acid
CID 141262915

Frequently Asked Questions

What is the IUPAC name of 4-(2,8-dimethylnonan-2-yloxycarbonyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(2,8-dimethylnonan-2-yloxycarbonyl)cyclohexane-1-carboxylic acid (CID 141262964) is 4-(2,8-dimethylnonan-2-yloxycarbonyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(2,8-dimethylnonan-2-yloxycarbonyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(2,8-dimethylnonan-2-yloxycarbonyl)cyclohexane-1-carboxylic acid is CC(C)CCCCCC(C)(C)OC(=O)C1CCC(C(=O)O)CC1.
What is the InChIKey of 4-(2,8-dimethylnonan-2-yloxycarbonyl)cyclohexane-1-carboxylic acid?
The InChIKey is YWIAZUQGZOQJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O4/c1-14(2)8-6-5-7-13-19(3,4)23-18(22)16-11-9-15(10-12-16)17(20)21/h14-16H,5-13H2,1-4H3,(H,20,21).
What are the key properties of 4-(2,8-dimethylnonan-2-yloxycarbonyl)cyclohexane-1-carboxylic acid?
4-(2,8-dimethylnonan-2-yloxycarbonyl)cyclohexane-1-carboxylic acid has a molecular weight of 326.48 g/mol, XLogP of 4.81, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,8-dimethylnonan-2-yloxycarbonyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 141262964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).