1,2-dimethyl-3-pentyl-4-propylcyclohexane

C16H32 — CID 566238

IUPAC1,2-dimethyl-3-pentyl-4-propylcyclohexane
SMILESCCCCCC1C(CCC)CCC(C)C1C
InChIInChI=1S/C16H32/c1-5-7-8-10-16-14(4)13(3)11-12-15(16)9-6-2/h13-16H,5-12H2,1-4H3
InChIKeyUJIUQWGUJFPPKB-UHFFFAOYSA-N
MW224.43 g/mol
LogP5.67
Rot. Bonds6

About 1,2-dimethyl-3-pentyl-4-propylcyclohexane

1,2-dimethyl-3-pentyl-4-propylcyclohexane (PubChem CID 566238) has the molecular formula C16H32 and a molecular weight of 224.43 g/mol. Its IUPAC name is 1,2-dimethyl-3-pentyl-4-propylcyclohexane.

Molecular Properties

Compound Name1,2-dimethyl-3-pentyl-4-propylcyclohexane
PubChem CID566238
Molecular FormulaC16H32
Molecular Weight224.43 g/mol
Exact Mass224.25
IUPAC Name1,2-dimethyl-3-pentyl-4-propylcyclohexane
SMILESCCCCCC1C(CCC)CCC(C)C1C
InChIInChI=1S/C16H32/c1-5-7-8-10-16-14(4)13(3)11-12-15(16)9-6-2/h13-16H,5-12H2,1-4H3
InChIKeyUJIUQWGUJFPPKB-UHFFFAOYSA-N
XLogP5.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.43
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,2-dimethyl-3-pentyl-4-propylcyclohexane 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-dimethyl-3-pentyl-4-propylcyclohexane?
The IUPAC name of 1,2-dimethyl-3-pentyl-4-propylcyclohexane (CID 566238) is 1,2-dimethyl-3-pentyl-4-propylcyclohexane.
What is the SMILES notation for 1,2-dimethyl-3-pentyl-4-propylcyclohexane?
The canonical SMILES for 1,2-dimethyl-3-pentyl-4-propylcyclohexane is CCCCCC1C(CCC)CCC(C)C1C.
What is the InChIKey of 1,2-dimethyl-3-pentyl-4-propylcyclohexane?
The InChIKey is UJIUQWGUJFPPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32/c1-5-7-8-10-16-14(4)13(3)11-12-15(16)9-6-2/h13-16H,5-12H2,1-4H3.
What are the key properties of 1,2-dimethyl-3-pentyl-4-propylcyclohexane?
1,2-dimethyl-3-pentyl-4-propylcyclohexane has a molecular weight of 224.43 g/mol, XLogP of 5.67, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-pentyl-4-propylcyclohexane is sourced from PubChem (CID 566238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).