(1R)-1-butyl-1,2,2-trimethylcyclohexane

C13H26 — CID 160652291

IUPAC(1R)-1-butyl-1,2,2-trimethylcyclohexane
SMILESCCCC[C@]1(C)CCCCC1(C)C
InChIInChI=1S/C13H26/c1-5-6-10-13(4)11-8-7-9-12(13,2)3/h5-11H2,1-4H3/t13-/m1/s1
InChIKeyLLEWLOIVODANLG-CYBMUJFWSA-N
MW182.35 g/mol
LogP4.78
Rot. Bonds3

About (1R)-1-butyl-1,2,2-trimethylcyclohexane

(1R)-1-butyl-1,2,2-trimethylcyclohexane (PubChem CID 160652291) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is (1R)-1-butyl-1,2,2-trimethylcyclohexane.

Molecular Properties

Compound Name(1R)-1-butyl-1,2,2-trimethylcyclohexane
PubChem CID160652291
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name(1R)-1-butyl-1,2,2-trimethylcyclohexane
SMILESCCCC[C@]1(C)CCCCC1(C)C
InChIInChI=1S/C13H26/c1-5-6-10-13(4)11-8-7-9-12(13,2)3/h5-11H2,1-4H3/t13-/m1/s1
InChIKeyLLEWLOIVODANLG-CYBMUJFWSA-N
XLogP4.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.35
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-butyl-1,2,2-trimethylcyclohexane?
The IUPAC name of (1R)-1-butyl-1,2,2-trimethylcyclohexane (CID 160652291) is (1R)-1-butyl-1,2,2-trimethylcyclohexane.
What is the SMILES notation for (1R)-1-butyl-1,2,2-trimethylcyclohexane?
The canonical SMILES for (1R)-1-butyl-1,2,2-trimethylcyclohexane is CCCC[C@]1(C)CCCCC1(C)C.
What is the InChIKey of (1R)-1-butyl-1,2,2-trimethylcyclohexane?
The InChIKey is LLEWLOIVODANLG-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H26/c1-5-6-10-13(4)11-8-7-9-12(13,2)3/h5-11H2,1-4H3/t13-/m1/s1.
What are the key properties of (1R)-1-butyl-1,2,2-trimethylcyclohexane?
(1R)-1-butyl-1,2,2-trimethylcyclohexane has a molecular weight of 182.35 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-butyl-1,2,2-trimethylcyclohexane is sourced from PubChem (CID 160652291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).