2-butyl-3-ethenyl-1-methyl-4-methylsulfanylcyclopentane

C13H24S — CID 138701999

IUPAC2-butyl-3-ethenyl-1-methyl-4-methylsulfanylcyclopentane
SMILESC=CC1C(SC)CC(C)C1CCCC
InChIInChI=1S/C13H24S/c1-5-7-8-12-10(3)9-13(14-4)11(12)6-2/h6,10-13H,2,5,7-9H2,1,3-4H3
InChIKeyRASCMKDIZRRFOM-UHFFFAOYSA-N
MW212.40 g/mol
LogP4.37
Rot. Bonds5

About 2-butyl-3-ethenyl-1-methyl-4-methylsulfanylcyclopentane

2-butyl-3-ethenyl-1-methyl-4-methylsulfanylcyclopentane (PubChem CID 138701999) has the molecular formula C13H24S and a molecular weight of 212.40 g/mol. Its IUPAC name is 2-butyl-3-ethenyl-1-methyl-4-methylsulfanylcyclopentane.

Molecular Properties

Compound Name2-butyl-3-ethenyl-1-methyl-4-methylsulfanylcyclopentane
PubChem CID138701999
Molecular FormulaC13H24S
Molecular Weight212.40 g/mol
Exact Mass212.16
IUPAC Name2-butyl-3-ethenyl-1-methyl-4-methylsulfanylcyclopentane
SMILESC=CC1C(SC)CC(C)C1CCCC
InChIInChI=1S/C13H24S/c1-5-7-8-12-10(3)9-13(14-4)11(12)6-2/h6,10-13H,2,5,7-9H2,1,3-4H3
InChIKeyRASCMKDIZRRFOM-UHFFFAOYSA-N
XLogP4.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.40
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-3-ethenyl-1-methyl-4-methylsulfanylcyclopentane?
The IUPAC name of 2-butyl-3-ethenyl-1-methyl-4-methylsulfanylcyclopentane (CID 138701999) is 2-butyl-3-ethenyl-1-methyl-4-methylsulfanylcyclopentane.
What is the SMILES notation for 2-butyl-3-ethenyl-1-methyl-4-methylsulfanylcyclopentane?
The canonical SMILES for 2-butyl-3-ethenyl-1-methyl-4-methylsulfanylcyclopentane is C=CC1C(SC)CC(C)C1CCCC.
What is the InChIKey of 2-butyl-3-ethenyl-1-methyl-4-methylsulfanylcyclopentane?
The InChIKey is RASCMKDIZRRFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24S/c1-5-7-8-12-10(3)9-13(14-4)11(12)6-2/h6,10-13H,2,5,7-9H2,1,3-4H3.
What are the key properties of 2-butyl-3-ethenyl-1-methyl-4-methylsulfanylcyclopentane?
2-butyl-3-ethenyl-1-methyl-4-methylsulfanylcyclopentane has a molecular weight of 212.40 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3-ethenyl-1-methyl-4-methylsulfanylcyclopentane is sourced from PubChem (CID 138701999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).