2-undecan-5-yloxycarbonylcyclohexane-1-carboxylic acid

C19H34O4 — CID 69471827

IUPAC2-undecan-5-yloxycarbonylcyclohexane-1-carboxylic acid
SMILESCCCCCCC(CCCC)OC(=O)C1CCCCC1C(=O)O
InChIInChI=1S/C19H34O4/c1-3-5-7-8-12-15(11-6-4-2)23-19(22)17-14-10-9-13-16(17)18(20)21/h15-17H,3-14H2,1-2H3,(H,20,21)
InChIKeyPXSYGBUSJTUUEU-UHFFFAOYSA-N
MW326.48 g/mol
LogP4.95
Rot. Bonds11

About 2-undecan-5-yloxycarbonylcyclohexane-1-carboxylic acid

2-undecan-5-yloxycarbonylcyclohexane-1-carboxylic acid (PubChem CID 69471827) has the molecular formula C19H34O4 and a molecular weight of 326.48 g/mol. Its IUPAC name is 2-undecan-5-yloxycarbonylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-undecan-5-yloxycarbonylcyclohexane-1-carboxylic acid
PubChem CID69471827
Molecular FormulaC19H34O4
Molecular Weight326.48 g/mol
Exact Mass326.25
IUPAC Name2-undecan-5-yloxycarbonylcyclohexane-1-carboxylic acid
SMILESCCCCCCC(CCCC)OC(=O)C1CCCCC1C(=O)O
InChIInChI=1S/C19H34O4/c1-3-5-7-8-12-15(11-6-4-2)23-19(22)17-14-10-9-13-16(17)18(20)21/h15-17H,3-14H2,1-2H3,(H,20,21)
InChIKeyPXSYGBUSJTUUEU-UHFFFAOYSA-N
XLogP4.95
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-undecan-5-yloxycarbonylcyclohexane-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-heptadecan-5-yloxycarbonylcyclohexane-1-carboxylic acid
CID 69473831
2-henicosan-5-yloxycarbonylcyclohexane-1-carboxylic acid
CID 69475230
2-tetradecan-4-yloxycarbonylcyclohexane-1-carboxylic acid
CID 69474198
2-hexadecan-4-yloxycarbonylcyclohexane-1-carboxylic acid
CID 69474356
2-(2-methylhenicosan-11-yloxycarbonyl)cyclohexane-1-carboxylic acid
CID 141262323
2-(14-methylpentadecan-5-yloxycarbonyl)cyclohexane-1-carboxylic acid
CID 69475021
2-(17-methyloctadecan-8-yloxycarbonyl)cyclohexane-1-carboxylic acid
CID 141262807
2-(2-methyltricosan-12-yloxycarbonyl)cyclohexane-1-carboxylic acid
CID 141262743
2-pentadecan-3-yloxycarbonylcyclohexane-1-carboxylic acid
CID 69472547
2-(2-methyltetradecan-4-yloxycarbonyl)cyclohexane-1-carboxylic acid
CID 69474441
2-(3-methylundecan-5-yloxycarbonyl)cyclohexane-1-carboxylic acid
CID 69477008
2-(2,15-dimethylhexadecan-6-yloxycarbonyl)cyclohexane-1-carboxylic acid
CID 141262945

Frequently Asked Questions

What is the IUPAC name of 2-undecan-5-yloxycarbonylcyclohexane-1-carboxylic acid?
The IUPAC name of 2-undecan-5-yloxycarbonylcyclohexane-1-carboxylic acid (CID 69471827) is 2-undecan-5-yloxycarbonylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-undecan-5-yloxycarbonylcyclohexane-1-carboxylic acid?
The canonical SMILES for 2-undecan-5-yloxycarbonylcyclohexane-1-carboxylic acid is CCCCCCC(CCCC)OC(=O)C1CCCCC1C(=O)O.
What is the InChIKey of 2-undecan-5-yloxycarbonylcyclohexane-1-carboxylic acid?
The InChIKey is PXSYGBUSJTUUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O4/c1-3-5-7-8-12-15(11-6-4-2)23-19(22)17-14-10-9-13-16(17)18(20)21/h15-17H,3-14H2,1-2H3,(H,20,21).
What are the key properties of 2-undecan-5-yloxycarbonylcyclohexane-1-carboxylic acid?
2-undecan-5-yloxycarbonylcyclohexane-1-carboxylic acid has a molecular weight of 326.48 g/mol, XLogP of 4.95, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-undecan-5-yloxycarbonylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 69471827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).