1-ethenyl-3-[(E)-2-methylsulfanylethenyl]cyclopentane

C10H16S — CID 138985191

IUPAC1-ethenyl-3-[(E)-2-methylsulfanylethenyl]cyclopentane
SMILESC=CC1CCC(/C=C/SC)C1
InChIInChI=1S/C10H16S/c1-3-9-4-5-10(8-9)6-7-11-2/h3,6-7,9-10H,1,4-5,8H2,2H3/b7-6+
InChIKeyVMKQLHJDPVZDMG-VOTSOKGWSA-N
MW168.31 g/mol
LogP3.47
Rot. Bonds3

About 1-ethenyl-3-[(E)-2-methylsulfanylethenyl]cyclopentane

1-ethenyl-3-[(E)-2-methylsulfanylethenyl]cyclopentane (PubChem CID 138985191) has the molecular formula C10H16S and a molecular weight of 168.31 g/mol. Its IUPAC name is 1-ethenyl-3-[(E)-2-methylsulfanylethenyl]cyclopentane.

Molecular Properties

Compound Name1-ethenyl-3-[(E)-2-methylsulfanylethenyl]cyclopentane
PubChem CID138985191
Molecular FormulaC10H16S
Molecular Weight168.31 g/mol
Exact Mass168.10
IUPAC Name1-ethenyl-3-[(E)-2-methylsulfanylethenyl]cyclopentane
SMILESC=CC1CCC(/C=C/SC)C1
InChIInChI=1S/C10H16S/c1-3-9-4-5-10(8-9)6-7-11-2/h3,6-7,9-10H,1,4-5,8H2,2H3/b7-6+
InChIKeyVMKQLHJDPVZDMG-VOTSOKGWSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.31
LogP ≤ 53.47
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 1-ethenyl-3-[(E)-2-methylsulfanylethenyl]cyclopentane?
The IUPAC name of 1-ethenyl-3-[(E)-2-methylsulfanylethenyl]cyclopentane (CID 138985191) is 1-ethenyl-3-[(E)-2-methylsulfanylethenyl]cyclopentane.
What is the SMILES notation for 1-ethenyl-3-[(E)-2-methylsulfanylethenyl]cyclopentane?
The canonical SMILES for 1-ethenyl-3-[(E)-2-methylsulfanylethenyl]cyclopentane is C=CC1CCC(/C=C/SC)C1.
What is the InChIKey of 1-ethenyl-3-[(E)-2-methylsulfanylethenyl]cyclopentane?
The InChIKey is VMKQLHJDPVZDMG-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H16S/c1-3-9-4-5-10(8-9)6-7-11-2/h3,6-7,9-10H,1,4-5,8H2,2H3/b7-6+.
What are the key properties of 1-ethenyl-3-[(E)-2-methylsulfanylethenyl]cyclopentane?
1-ethenyl-3-[(E)-2-methylsulfanylethenyl]cyclopentane has a molecular weight of 168.31 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-[(E)-2-methylsulfanylethenyl]cyclopentane is sourced from PubChem (CID 138985191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).