2-butan-2-yl-1,3,5-trimethylcyclohexane

C13H26 — CID 90972647

IUPAC2-butan-2-yl-1,3,5-trimethylcyclohexane
SMILESCCC(C)C1C(C)CC(C)CC1C
InChIInChI=1S/C13H26/c1-6-10(3)13-11(4)7-9(2)8-12(13)5/h9-13H,6-8H2,1-5H3
InChIKeyWDDPMOAEZYRNSC-UHFFFAOYSA-N
MW182.35 g/mol
LogP4.35
Rot. Bonds2

About 2-butan-2-yl-1,3,5-trimethylcyclohexane

2-butan-2-yl-1,3,5-trimethylcyclohexane (PubChem CID 90972647) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is 2-butan-2-yl-1,3,5-trimethylcyclohexane.

Molecular Properties

Compound Name2-butan-2-yl-1,3,5-trimethylcyclohexane
PubChem CID90972647
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name2-butan-2-yl-1,3,5-trimethylcyclohexane
SMILESCCC(C)C1C(C)CC(C)CC1C
InChIInChI=1S/C13H26/c1-6-10(3)13-11(4)7-9(2)8-12(13)5/h9-13H,6-8H2,1-5H3
InChIKeyWDDPMOAEZYRNSC-UHFFFAOYSA-N
XLogP4.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.35
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-butan-2-yl-1,3-dimethylcyclopentane
CID 90760041
2-butan-2-yl-1,3-dimethylcyclohexane
CID 123219049
2-butan-2-yl-1-methyl-3-(3-methylpentan-2-yl)cyclobutane
CID 90870897
2-butan-2-yl-3-ethyl-5-methylcyclopentan-1-amine
CID 155282268
1,4-dimethyl-2-(5-methylheptan-3-yl)cyclopentane
CID 123939374
1,4-dimethyl-2-(2-methylpentan-3-yl)cyclopentane
CID 91069892
cis-(1S,4R)-1-fluoro-2,4-dimethylcyclopentane
CID 169143039
2-(2,4,6-trimethylcyclohexyl)propanoic acid
CID 54402316
1,2-dimethylcyclopropane;2-methylpropane;propane
CID 142614988
3-butan-2-yl-5-methylcyclopentene
CID 143604175
2-butan-2-yl-3-ethylbicyclo[2.1.0]pentane
CID 123963440
1-butan-2-yl-4-methylcyclohexane
CID 20676481

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-1,3,5-trimethylcyclohexane?
The IUPAC name of 2-butan-2-yl-1,3,5-trimethylcyclohexane (CID 90972647) is 2-butan-2-yl-1,3,5-trimethylcyclohexane.
What is the SMILES notation for 2-butan-2-yl-1,3,5-trimethylcyclohexane?
The canonical SMILES for 2-butan-2-yl-1,3,5-trimethylcyclohexane is CCC(C)C1C(C)CC(C)CC1C.
What is the InChIKey of 2-butan-2-yl-1,3,5-trimethylcyclohexane?
The InChIKey is WDDPMOAEZYRNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26/c1-6-10(3)13-11(4)7-9(2)8-12(13)5/h9-13H,6-8H2,1-5H3.
What are the key properties of 2-butan-2-yl-1,3,5-trimethylcyclohexane?
2-butan-2-yl-1,3,5-trimethylcyclohexane has a molecular weight of 182.35 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-1,3,5-trimethylcyclohexane is sourced from PubChem (CID 90972647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).