2-(2-ethyl-4-methylsulfanylpent-1-enyl)-1,1-dimethylcyclopropane

C13H24S — CID 123289713

IUPAC2-(2-ethyl-4-methylsulfanylpent-1-enyl)-1,1-dimethylcyclopropane
SMILESCCC(=CC1CC1(C)C)CC(C)SC
InChIInChI=1S/C13H24S/c1-6-11(7-10(2)14-5)8-12-9-13(12,3)4/h8,10,12H,6-7,9H2,1-5H3
InChIKeyDDOAHACPUUUIHM-UHFFFAOYSA-N
MW212.40 g/mol
LogP4.51
Rot. Bonds5

About 2-(2-ethyl-4-methylsulfanylpent-1-enyl)-1,1-dimethylcyclopropane

2-(2-ethyl-4-methylsulfanylpent-1-enyl)-1,1-dimethylcyclopropane (PubChem CID 123289713) has the molecular formula C13H24S and a molecular weight of 212.40 g/mol. Its IUPAC name is 2-(2-ethyl-4-methylsulfanylpent-1-enyl)-1,1-dimethylcyclopropane.

Molecular Properties

Compound Name2-(2-ethyl-4-methylsulfanylpent-1-enyl)-1,1-dimethylcyclopropane
PubChem CID123289713
Molecular FormulaC13H24S
Molecular Weight212.40 g/mol
Exact Mass212.16
IUPAC Name2-(2-ethyl-4-methylsulfanylpent-1-enyl)-1,1-dimethylcyclopropane
SMILESCCC(=CC1CC1(C)C)CC(C)SC
InChIInChI=1S/C13H24S/c1-6-11(7-10(2)14-5)8-12-9-13(12,3)4/h8,10,12H,6-7,9H2,1-5H3
InChIKeyDDOAHACPUUUIHM-UHFFFAOYSA-N
XLogP4.51
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 ≤ 54.51
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-(2-ethyl-4-methylsulfanylpent-1-enyl)-1,1-dimethylcyclopropane?
The IUPAC name of 2-(2-ethyl-4-methylsulfanylpent-1-enyl)-1,1-dimethylcyclopropane (CID 123289713) is 2-(2-ethyl-4-methylsulfanylpent-1-enyl)-1,1-dimethylcyclopropane.
What is the SMILES notation for 2-(2-ethyl-4-methylsulfanylpent-1-enyl)-1,1-dimethylcyclopropane?
The canonical SMILES for 2-(2-ethyl-4-methylsulfanylpent-1-enyl)-1,1-dimethylcyclopropane is CCC(=CC1CC1(C)C)CC(C)SC.
What is the InChIKey of 2-(2-ethyl-4-methylsulfanylpent-1-enyl)-1,1-dimethylcyclopropane?
The InChIKey is DDOAHACPUUUIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24S/c1-6-11(7-10(2)14-5)8-12-9-13(12,3)4/h8,10,12H,6-7,9H2,1-5H3.
What are the key properties of 2-(2-ethyl-4-methylsulfanylpent-1-enyl)-1,1-dimethylcyclopropane?
2-(2-ethyl-4-methylsulfanylpent-1-enyl)-1,1-dimethylcyclopropane has a molecular weight of 212.40 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-4-methylsulfanylpent-1-enyl)-1,1-dimethylcyclopropane is sourced from PubChem (CID 123289713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).