1-(2-ethyloctyl)-2-undecan-2-ylcyclohexane

C27H54 — CID 123242548

IUPAC1-(2-ethyloctyl)-2-undecan-2-ylcyclohexane
SMILESCCCCCCCCCC(C)C1CCCCC1CC(CC)CCCCCC
InChIInChI=1S/C27H54/c1-5-8-10-12-13-14-15-19-24(4)27-22-18-17-21-26(27)23-25(7-3)20-16-11-9-6-2/h24-27H,5-23H2,1-4H3
InChIKeyCODGLUSTFXJUKU-UHFFFAOYSA-N
MW378.73 g/mol
LogP9.96
Rot. Bonds17

About 1-(2-ethyloctyl)-2-undecan-2-ylcyclohexane

1-(2-ethyloctyl)-2-undecan-2-ylcyclohexane (PubChem CID 123242548) has the molecular formula C27H54 and a molecular weight of 378.73 g/mol. Its IUPAC name is 1-(2-ethyloctyl)-2-undecan-2-ylcyclohexane.

Molecular Properties

Compound Name1-(2-ethyloctyl)-2-undecan-2-ylcyclohexane
PubChem CID123242548
Molecular FormulaC27H54
Molecular Weight378.73 g/mol
Exact Mass378.42
IUPAC Name1-(2-ethyloctyl)-2-undecan-2-ylcyclohexane
SMILESCCCCCCCCCC(C)C1CCCCC1CC(CC)CCCCCC
InChIInChI=1S/C27H54/c1-5-8-10-12-13-14-15-19-24(4)27-22-18-17-21-26(27)23-25(7-3)20-16-11-9-6-2/h24-27H,5-23H2,1-4H3
InChIKeyCODGLUSTFXJUKU-UHFFFAOYSA-N
XLogP9.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.73
LogP ≤ 59.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-(2-ethyloctyl)-2-undecan-2-ylcyclohexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyloctyl)-2-undecan-2-ylcyclohexane?
The IUPAC name of 1-(2-ethyloctyl)-2-undecan-2-ylcyclohexane (CID 123242548) is 1-(2-ethyloctyl)-2-undecan-2-ylcyclohexane.
What is the SMILES notation for 1-(2-ethyloctyl)-2-undecan-2-ylcyclohexane?
The canonical SMILES for 1-(2-ethyloctyl)-2-undecan-2-ylcyclohexane is CCCCCCCCCC(C)C1CCCCC1CC(CC)CCCCCC.
What is the InChIKey of 1-(2-ethyloctyl)-2-undecan-2-ylcyclohexane?
The InChIKey is CODGLUSTFXJUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H54/c1-5-8-10-12-13-14-15-19-24(4)27-22-18-17-21-26(27)23-25(7-3)20-16-11-9-6-2/h24-27H,5-23H2,1-4H3.
What are the key properties of 1-(2-ethyloctyl)-2-undecan-2-ylcyclohexane?
1-(2-ethyloctyl)-2-undecan-2-ylcyclohexane has a molecular weight of 378.73 g/mol, XLogP of 9.96, 17 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyloctyl)-2-undecan-2-ylcyclohexane is sourced from PubChem (CID 123242548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).