(1S)-1-butyl-2-methylcyclohexane

C11H22 — CID 145054487

IUPAC(1S)-1-butyl-2-methylcyclohexane
SMILESCCCC[C@H]1CCCCC1C
InChIInChI=1S/C11H22/c1-3-4-8-11-9-6-5-7-10(11)2/h10-11H,3-9H2,1-2H3/t10?,11-/m0/s1
InChIKeyOYUOZGGBVVMSQC-DTIOYNMSSA-N
MW154.30 g/mol
LogP4.00
Rot. Bonds3

About (1S)-1-butyl-2-methylcyclohexane

(1S)-1-butyl-2-methylcyclohexane (PubChem CID 145054487) has the molecular formula C11H22 and a molecular weight of 154.30 g/mol. Its IUPAC name is (1S)-1-butyl-2-methylcyclohexane.

Molecular Properties

Compound Name(1S)-1-butyl-2-methylcyclohexane
PubChem CID145054487
Molecular FormulaC11H22
Molecular Weight154.30 g/mol
Exact Mass154.17
IUPAC Name(1S)-1-butyl-2-methylcyclohexane
SMILESCCCC[C@H]1CCCCC1C
InChIInChI=1S/C11H22/c1-3-4-8-11-9-6-5-7-10(11)2/h10-11H,3-9H2,1-2H3/t10?,11-/m0/s1
InChIKeyOYUOZGGBVVMSQC-DTIOYNMSSA-N
XLogP4.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.30
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

trans-(1R,2S)-1-butyl-2-methylcyclopentane
CID 6427719
1-butyl-2-methylcyclopentane;ethane
CID 143661628
1-decyl-2-methylcyclohexane
CID 123746851
1-butyl-2,3-dimethylcycloheptane
CID 123688488
1-methyl-2-[3-[3-(2-methylcyclohexyl)propylsulfanyl]propyl]cyclohexane
CID 141375936
trans-(1R,2R)-1-butyl-2-propylcyclopentane
CID 14574886
trans-(1R,2S)-1-butyl-2-methylcyclopropane
CID 102002542
cis-(1S,2S)-1-butyl-2-methylcyclopropane
CID 15579941
cis-(1R,2S)-1,2-dimethylcyclohexane;heptane
CID 142453951
cis-(1S,2S)-1-ethyl-2-methylcyclohexane
CID 23620237
1-butyl-2-ethylcyclopentane
CID 522474
1-methyl-2-(5-methylheptyl)cycloheptane
CID 123996551

Frequently Asked Questions

What is the IUPAC name of (1S)-1-butyl-2-methylcyclohexane?
The IUPAC name of (1S)-1-butyl-2-methylcyclohexane (CID 145054487) is (1S)-1-butyl-2-methylcyclohexane.
What is the SMILES notation for (1S)-1-butyl-2-methylcyclohexane?
The canonical SMILES for (1S)-1-butyl-2-methylcyclohexane is CCCC[C@H]1CCCCC1C.
What is the InChIKey of (1S)-1-butyl-2-methylcyclohexane?
The InChIKey is OYUOZGGBVVMSQC-DTIOYNMSSA-N. The full InChI is InChI=1S/C11H22/c1-3-4-8-11-9-6-5-7-10(11)2/h10-11H,3-9H2,1-2H3/t10?,11-/m0/s1.
What are the key properties of (1S)-1-butyl-2-methylcyclohexane?
(1S)-1-butyl-2-methylcyclohexane has a molecular weight of 154.30 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-butyl-2-methylcyclohexane is sourced from PubChem (CID 145054487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).