methylsulfanylethane;1-propylcyclopentene

C11H22S — CID 142100945

IUPACmethylsulfanylethane;1-propylcyclopentene
SMILESCCCC1=CCCC1.CCSC
InChIInChI=1S/C8H14.C3H8S/c1-2-5-8-6-3-4-7-8;1-3-4-2/h6H,2-5,7H2,1H3;3H2,1-2H3
InChIKeyADJLDGKFBNNJDE-UHFFFAOYSA-N
MW186.36 g/mol
LogP4.27
Rot. Bonds3

About methylsulfanylethane;1-propylcyclopentene

methylsulfanylethane;1-propylcyclopentene (PubChem CID 142100945) has the molecular formula C11H22S and a molecular weight of 186.36 g/mol. Its IUPAC name is methylsulfanylethane;1-propylcyclopentene.

Molecular Properties

Compound Namemethylsulfanylethane;1-propylcyclopentene
PubChem CID142100945
Molecular FormulaC11H22S
Molecular Weight186.36 g/mol
Exact Mass186.14
IUPAC Namemethylsulfanylethane;1-propylcyclopentene
SMILESCCCC1=CCCC1.CCSC
InChIInChI=1S/C8H14.C3H8S/c1-2-5-8-6-3-4-7-8;1-3-4-2/h6H,2-5,7H2,1H3;3H2,1-2H3
InChIKeyADJLDGKFBNNJDE-UHFFFAOYSA-N
XLogP4.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.36
LogP ≤ 54.27
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 methylsulfanylethane;1-propylcyclopentene?
The IUPAC name of methylsulfanylethane;1-propylcyclopentene (CID 142100945) is methylsulfanylethane;1-propylcyclopentene.
What is the SMILES notation for methylsulfanylethane;1-propylcyclopentene?
The canonical SMILES for methylsulfanylethane;1-propylcyclopentene is CCCC1=CCCC1.CCSC.
What is the InChIKey of methylsulfanylethane;1-propylcyclopentene?
The InChIKey is ADJLDGKFBNNJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14.C3H8S/c1-2-5-8-6-3-4-7-8;1-3-4-2/h6H,2-5,7H2,1H3;3H2,1-2H3.
What are the key properties of methylsulfanylethane;1-propylcyclopentene?
methylsulfanylethane;1-propylcyclopentene has a molecular weight of 186.36 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methylsulfanylethane;1-propylcyclopentene is sourced from PubChem (CID 142100945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).