2-butyl-1-methyl-1-methylsulfanylcyclohexane

C12H24S — CID 139397086

IUPAC2-butyl-1-methyl-1-methylsulfanylcyclohexane
SMILESCCCCC1CCCCC1(C)SC
InChIInChI=1S/C12H24S/c1-4-5-8-11-9-6-7-10-12(11,2)13-3/h11H,4-10H2,1-3H3
InChIKeyQUFMLOVYEXCQES-UHFFFAOYSA-N
MW200.39 g/mol
LogP4.49
Rot. Bonds4

About 2-butyl-1-methyl-1-methylsulfanylcyclohexane

2-butyl-1-methyl-1-methylsulfanylcyclohexane (PubChem CID 139397086) has the molecular formula C12H24S and a molecular weight of 200.39 g/mol. Its IUPAC name is 2-butyl-1-methyl-1-methylsulfanylcyclohexane.

Molecular Properties

Compound Name2-butyl-1-methyl-1-methylsulfanylcyclohexane
PubChem CID139397086
Molecular FormulaC12H24S
Molecular Weight200.39 g/mol
Exact Mass200.16
IUPAC Name2-butyl-1-methyl-1-methylsulfanylcyclohexane
SMILESCCCCC1CCCCC1(C)SC
InChIInChI=1S/C12H24S/c1-4-5-8-11-9-6-7-10-12(11,2)13-3/h11H,4-10H2,1-3H3
InChIKeyQUFMLOVYEXCQES-UHFFFAOYSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.39
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

azane;2-butyl-1,1-dimethylcyclopentane
CID 174501444
2-heptyl-1,1-dimethylcycloundecane
CID 174977900
[2-butyl-1-(hydroxymethyl)cyclohexyl]methanol
CID 18784276
1,2-dibutyl-1-cyclopentylcyclopentane
CID 174805114
1,1-dimethoxy-2-octylcyclododecane
CID 134883102
2-butyl-1,1-bis(tert-butylperoxy)cyclohexane
CID 87794362
4-octylspiro[4.5]decane
CID 139968258
1-cyclopropyl-2-pentylcyclopentan-1-ol
CID 118117047
7-butyl-1-methylbicyclo[4.2.0]octane
CID 123922439
1-tert-butyl-1-methyl-2-propylcyclohexane
CID 163211328
CID 174821997
CID 174821997
2-butyl-1-ethynylcyclopentan-1-ol
CID 23346684

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-methyl-1-methylsulfanylcyclohexane?
The IUPAC name of 2-butyl-1-methyl-1-methylsulfanylcyclohexane (CID 139397086) is 2-butyl-1-methyl-1-methylsulfanylcyclohexane.
What is the SMILES notation for 2-butyl-1-methyl-1-methylsulfanylcyclohexane?
The canonical SMILES for 2-butyl-1-methyl-1-methylsulfanylcyclohexane is CCCCC1CCCCC1(C)SC.
What is the InChIKey of 2-butyl-1-methyl-1-methylsulfanylcyclohexane?
The InChIKey is QUFMLOVYEXCQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24S/c1-4-5-8-11-9-6-7-10-12(11,2)13-3/h11H,4-10H2,1-3H3.
What are the key properties of 2-butyl-1-methyl-1-methylsulfanylcyclohexane?
2-butyl-1-methyl-1-methylsulfanylcyclohexane has a molecular weight of 200.39 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-methyl-1-methylsulfanylcyclohexane is sourced from PubChem (CID 139397086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).