2-hexan-3-yl-1,3,4-trimethylcyclohexane

C15H30 — CID 123632457

IUPAC2-hexan-3-yl-1,3,4-trimethylcyclohexane
SMILESCCCC(CC)C1C(C)CCC(C)C1C
InChIInChI=1S/C15H30/c1-6-8-14(7-2)15-12(4)10-9-11(3)13(15)5/h11-15H,6-10H2,1-5H3
InChIKeyKPCFYVSGVHKOCD-UHFFFAOYSA-N
MW210.40 g/mol
LogP5.13
Rot. Bonds4

About 2-hexan-3-yl-1,3,4-trimethylcyclohexane

2-hexan-3-yl-1,3,4-trimethylcyclohexane (PubChem CID 123632457) has the molecular formula C15H30 and a molecular weight of 210.40 g/mol. Its IUPAC name is 2-hexan-3-yl-1,3,4-trimethylcyclohexane.

Molecular Properties

Compound Name2-hexan-3-yl-1,3,4-trimethylcyclohexane
PubChem CID123632457
Molecular FormulaC15H30
Molecular Weight210.40 g/mol
Exact Mass210.23
IUPAC Name2-hexan-3-yl-1,3,4-trimethylcyclohexane
SMILESCCCC(CC)C1C(C)CCC(C)C1C
InChIInChI=1S/C15H30/c1-6-8-14(7-2)15-12(4)10-9-11(3)13(15)5/h11-15H,6-10H2,1-5H3
InChIKeyKPCFYVSGVHKOCD-UHFFFAOYSA-N
XLogP5.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500210.40
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-hexan-3-yl-1,3,4-trimethylcyclohexane 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 2-hexan-3-yl-1,3,4-trimethylcyclohexane?
The IUPAC name of 2-hexan-3-yl-1,3,4-trimethylcyclohexane (CID 123632457) is 2-hexan-3-yl-1,3,4-trimethylcyclohexane.
What is the SMILES notation for 2-hexan-3-yl-1,3,4-trimethylcyclohexane?
The canonical SMILES for 2-hexan-3-yl-1,3,4-trimethylcyclohexane is CCCC(CC)C1C(C)CCC(C)C1C.
What is the InChIKey of 2-hexan-3-yl-1,3,4-trimethylcyclohexane?
The InChIKey is KPCFYVSGVHKOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30/c1-6-8-14(7-2)15-12(4)10-9-11(3)13(15)5/h11-15H,6-10H2,1-5H3.
What are the key properties of 2-hexan-3-yl-1,3,4-trimethylcyclohexane?
2-hexan-3-yl-1,3,4-trimethylcyclohexane has a molecular weight of 210.40 g/mol, XLogP of 5.13, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexan-3-yl-1,3,4-trimethylcyclohexane is sourced from PubChem (CID 123632457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).