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

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Related Compounds

1,3-dimethyl-2-pentan-3-ylcyclopentane
CID 123708942
4-hexan-3-yl-1,3,5-trimethylpiperidine
CID 167309553
1,2-dimethyl-4-octan-3-yl-3-propan-2-ylcyclohexane
CID 90877795
cyclopropane;ethane;1-hexan-3-yl-2-methylcyclobutane;methylcyclopropane;propane
CID 143682571
1-hexan-3-yl-4-methylcyclohexane;propane
CID 143181984
cis-(1S,3R)-1,2,3-trimethylcyclopentane
CID 6427077
2-butan-2-yl-1,3-dimethylcyclopentane
CID 90760041
3-hexan-3-yltricyclo[4.1.0.02,4]heptane
CID 163727409
1-methyl-2-(5-methyloctan-3-yl)cyclopropane
CID 123251321
bis(3-methylhexane);1,2,3-trimethylcyclobutane
CID 162022066
4,9-diethyl-8-hexan-3-yl-2,5,7,11-tetramethyl-3-propylbicyclo[8.1.0]undecane
CID 123911551
1-hexan-3-yl-3-methylcyclohexane
CID 143887329

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).