1-[1-(2-methylbut-1-enylsulfanyl)ethyl]-2-propylcyclopropane

C13H24S — CID 90792255

IUPAC1-[1-(2-methylbut-1-enylsulfanyl)ethyl]-2-propylcyclopropane
SMILESCCCC1CC1C(C)SC=C(C)CC
InChIInChI=1S/C13H24S/c1-5-7-12-8-13(12)11(4)14-9-10(3)6-2/h9,11-13H,5-8H2,1-4H3
InChIKeyPGIWSQLEDANSPR-UHFFFAOYSA-N
MW212.40 g/mol
LogP4.86
Rot. Bonds6

About 1-[1-(2-methylbut-1-enylsulfanyl)ethyl]-2-propylcyclopropane

1-[1-(2-methylbut-1-enylsulfanyl)ethyl]-2-propylcyclopropane (PubChem CID 90792255) has the molecular formula C13H24S and a molecular weight of 212.40 g/mol. Its IUPAC name is 1-[1-(2-methylbut-1-enylsulfanyl)ethyl]-2-propylcyclopropane.

Molecular Properties

Compound Name1-[1-(2-methylbut-1-enylsulfanyl)ethyl]-2-propylcyclopropane
PubChem CID90792255
Molecular FormulaC13H24S
Molecular Weight212.40 g/mol
Exact Mass212.16
IUPAC Name1-[1-(2-methylbut-1-enylsulfanyl)ethyl]-2-propylcyclopropane
SMILESCCCC1CC1C(C)SC=C(C)CC
InChIInChI=1S/C13H24S/c1-5-7-12-8-13(12)11(4)14-9-10(3)6-2/h9,11-13H,5-8H2,1-4H3
InChIKeyPGIWSQLEDANSPR-UHFFFAOYSA-N
XLogP4.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.40
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[1-(2-methylbut-1-enylsulfanyl)ethyl]-2-propylcyclopropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylbut-1-enylsulfanyl)ethyl]-2-propylcyclopropane?
The IUPAC name of 1-[1-(2-methylbut-1-enylsulfanyl)ethyl]-2-propylcyclopropane (CID 90792255) is 1-[1-(2-methylbut-1-enylsulfanyl)ethyl]-2-propylcyclopropane.
What is the SMILES notation for 1-[1-(2-methylbut-1-enylsulfanyl)ethyl]-2-propylcyclopropane?
The canonical SMILES for 1-[1-(2-methylbut-1-enylsulfanyl)ethyl]-2-propylcyclopropane is CCCC1CC1C(C)SC=C(C)CC.
What is the InChIKey of 1-[1-(2-methylbut-1-enylsulfanyl)ethyl]-2-propylcyclopropane?
The InChIKey is PGIWSQLEDANSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24S/c1-5-7-12-8-13(12)11(4)14-9-10(3)6-2/h9,11-13H,5-8H2,1-4H3.
What are the key properties of 1-[1-(2-methylbut-1-enylsulfanyl)ethyl]-2-propylcyclopropane?
1-[1-(2-methylbut-1-enylsulfanyl)ethyl]-2-propylcyclopropane has a molecular weight of 212.40 g/mol, XLogP of 4.86, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylbut-1-enylsulfanyl)ethyl]-2-propylcyclopropane is sourced from PubChem (CID 90792255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).