1-(2-methylsulfanylbuta-2,3-dienyl)cyclopentene

C10H14S — CID 134985755

IUPAC1-(2-methylsulfanylbuta-2,3-dienyl)cyclopentene
SMILESC=C=C(CC1=CCCC1)SC
InChIInChI=1S/C10H14S/c1-3-10(11-2)8-9-6-4-5-7-9/h6H,1,4-5,7-8H2,2H3
InChIKeyMZLAWWZVGPOWCK-UHFFFAOYSA-N
MW166.29 g/mol
LogP3.52
Rot. Bonds3

About 1-(2-methylsulfanylbuta-2,3-dienyl)cyclopentene

1-(2-methylsulfanylbuta-2,3-dienyl)cyclopentene (PubChem CID 134985755) has the molecular formula C10H14S and a molecular weight of 166.29 g/mol. Its IUPAC name is 1-(2-methylsulfanylbuta-2,3-dienyl)cyclopentene.

Molecular Properties

Compound Name1-(2-methylsulfanylbuta-2,3-dienyl)cyclopentene
PubChem CID134985755
Molecular FormulaC10H14S
Molecular Weight166.29 g/mol
Exact Mass166.08
IUPAC Name1-(2-methylsulfanylbuta-2,3-dienyl)cyclopentene
SMILESC=C=C(CC1=CCCC1)SC
InChIInChI=1S/C10H14S/c1-3-10(11-2)8-9-6-4-5-7-9/h6H,1,4-5,7-8H2,2H3
InChIKeyMZLAWWZVGPOWCK-UHFFFAOYSA-N
XLogP3.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.29
LogP ≤ 53.52
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-(2-methylsulfanylbuta-2,3-dienyl)cyclopentene?
The IUPAC name of 1-(2-methylsulfanylbuta-2,3-dienyl)cyclopentene (CID 134985755) is 1-(2-methylsulfanylbuta-2,3-dienyl)cyclopentene.
What is the SMILES notation for 1-(2-methylsulfanylbuta-2,3-dienyl)cyclopentene?
The canonical SMILES for 1-(2-methylsulfanylbuta-2,3-dienyl)cyclopentene is C=C=C(CC1=CCCC1)SC.
What is the InChIKey of 1-(2-methylsulfanylbuta-2,3-dienyl)cyclopentene?
The InChIKey is MZLAWWZVGPOWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14S/c1-3-10(11-2)8-9-6-4-5-7-9/h6H,1,4-5,7-8H2,2H3.
What are the key properties of 1-(2-methylsulfanylbuta-2,3-dienyl)cyclopentene?
1-(2-methylsulfanylbuta-2,3-dienyl)cyclopentene has a molecular weight of 166.29 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfanylbuta-2,3-dienyl)cyclopentene is sourced from PubChem (CID 134985755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).