1,2-dimethyl-4-(3-methyl-1-methylsulfanylbutyl)cyclopentane

C13H26S — CID 155130091

IUPAC1,2-dimethyl-4-(3-methyl-1-methylsulfanylbutyl)cyclopentane
SMILESCSC(CC(C)C)C1CC(C)C(C)C1
InChIInChI=1S/C13H26S/c1-9(2)6-13(14-5)12-7-10(3)11(4)8-12/h9-13H,6-8H2,1-5H3
InChIKeyBZJYQTCCIOTLKP-UHFFFAOYSA-N
MW214.42 g/mol
LogP4.45
Rot. Bonds4

About 1,2-dimethyl-4-(3-methyl-1-methylsulfanylbutyl)cyclopentane

1,2-dimethyl-4-(3-methyl-1-methylsulfanylbutyl)cyclopentane (PubChem CID 155130091) has the molecular formula C13H26S and a molecular weight of 214.42 g/mol. Its IUPAC name is 1,2-dimethyl-4-(3-methyl-1-methylsulfanylbutyl)cyclopentane.

Molecular Properties

Compound Name1,2-dimethyl-4-(3-methyl-1-methylsulfanylbutyl)cyclopentane
PubChem CID155130091
Molecular FormulaC13H26S
Molecular Weight214.42 g/mol
Exact Mass214.18
IUPAC Name1,2-dimethyl-4-(3-methyl-1-methylsulfanylbutyl)cyclopentane
SMILESCSC(CC(C)C)C1CC(C)C(C)C1
InChIInChI=1S/C13H26S/c1-9(2)6-13(14-5)12-7-10(3)11(4)8-12/h9-13H,6-8H2,1-5H3
InChIKeyBZJYQTCCIOTLKP-UHFFFAOYSA-N
XLogP4.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.42
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2-dimethyl-4-(4-methylpentan-2-yl)cyclohexane
CID 91128405
1,2-dimethylcyclopropane;2-methylpropane;propane
CID 142614988
1,2-dimethyl-4-pentan-2-ylcyclopentane
CID 123931283
1-(3,4-dimethylcyclopentyl)-N-methylethanamine
CID 167190559
3-(3,4-dimethylcyclohexyl)butan-2-ol
CID 79424372
3,4-dimethyl-N-(4-methylpentan-2-yl)cyclohexan-1-amine
CID 64733168
1,2-dimethylcyclopropane;propane
CID 143337919
1-(4-methylpentan-2-yl)-2-propan-2-ylcyclopropane
CID 123819906
ethane;4-methylpentan-2-ylcyclobutane
CID 158871771
[3-methyl-1-(2-methylcyclopropyl)butyl]hydrazine
CID 105234733
3,5-dimethyl-2-methylsulfanylhexane
CID 91029397
1-methyl-2-(2-methylpropyl)cyclopropane
CID 54305717

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4-(3-methyl-1-methylsulfanylbutyl)cyclopentane?
The IUPAC name of 1,2-dimethyl-4-(3-methyl-1-methylsulfanylbutyl)cyclopentane (CID 155130091) is 1,2-dimethyl-4-(3-methyl-1-methylsulfanylbutyl)cyclopentane.
What is the SMILES notation for 1,2-dimethyl-4-(3-methyl-1-methylsulfanylbutyl)cyclopentane?
The canonical SMILES for 1,2-dimethyl-4-(3-methyl-1-methylsulfanylbutyl)cyclopentane is CSC(CC(C)C)C1CC(C)C(C)C1.
What is the InChIKey of 1,2-dimethyl-4-(3-methyl-1-methylsulfanylbutyl)cyclopentane?
The InChIKey is BZJYQTCCIOTLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26S/c1-9(2)6-13(14-5)12-7-10(3)11(4)8-12/h9-13H,6-8H2,1-5H3.
What are the key properties of 1,2-dimethyl-4-(3-methyl-1-methylsulfanylbutyl)cyclopentane?
1,2-dimethyl-4-(3-methyl-1-methylsulfanylbutyl)cyclopentane has a molecular weight of 214.42 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-4-(3-methyl-1-methylsulfanylbutyl)cyclopentane is sourced from PubChem (CID 155130091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).