1-(1-methylsulfanylprop-2-enyl)cyclopent-2-en-1-ol

C9H14OS — CID 13010046

IUPAC1-(1-methylsulfanylprop-2-enyl)cyclopent-2-en-1-ol
SMILESC=CC(SC)C1(O)C=CCC1
InChIInChI=1S/C9H14OS/c1-3-8(11-2)9(10)6-4-5-7-9/h3-4,6,8,10H,1,5,7H2,2H3
InChIKeyPROPLSJHEOKIJL-UHFFFAOYSA-N
MW170.28 g/mol
LogP1.99
Rot. Bonds3

About 1-(1-methylsulfanylprop-2-enyl)cyclopent-2-en-1-ol

1-(1-methylsulfanylprop-2-enyl)cyclopent-2-en-1-ol (PubChem CID 13010046) has the molecular formula C9H14OS and a molecular weight of 170.28 g/mol. Its IUPAC name is 1-(1-methylsulfanylprop-2-enyl)cyclopent-2-en-1-ol.

Molecular Properties

Compound Name1-(1-methylsulfanylprop-2-enyl)cyclopent-2-en-1-ol
PubChem CID13010046
Molecular FormulaC9H14OS
Molecular Weight170.28 g/mol
Exact Mass170.08
IUPAC Name1-(1-methylsulfanylprop-2-enyl)cyclopent-2-en-1-ol
SMILESC=CC(SC)C1(O)C=CCC1
InChIInChI=1S/C9H14OS/c1-3-8(11-2)9(10)6-4-5-7-9/h3-4,6,8,10H,1,5,7H2,2H3
InChIKeyPROPLSJHEOKIJL-UHFFFAOYSA-N
XLogP1.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(1-methylsulfanylprop-2-enyl)cyclopent-2-en-1-ol?
The IUPAC name of 1-(1-methylsulfanylprop-2-enyl)cyclopent-2-en-1-ol (CID 13010046) is 1-(1-methylsulfanylprop-2-enyl)cyclopent-2-en-1-ol.
What is the SMILES notation for 1-(1-methylsulfanylprop-2-enyl)cyclopent-2-en-1-ol?
The canonical SMILES for 1-(1-methylsulfanylprop-2-enyl)cyclopent-2-en-1-ol is C=CC(SC)C1(O)C=CCC1.
What is the InChIKey of 1-(1-methylsulfanylprop-2-enyl)cyclopent-2-en-1-ol?
The InChIKey is PROPLSJHEOKIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14OS/c1-3-8(11-2)9(10)6-4-5-7-9/h3-4,6,8,10H,1,5,7H2,2H3.
What are the key properties of 1-(1-methylsulfanylprop-2-enyl)cyclopent-2-en-1-ol?
1-(1-methylsulfanylprop-2-enyl)cyclopent-2-en-1-ol has a molecular weight of 170.28 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylsulfanylprop-2-enyl)cyclopent-2-en-1-ol is sourced from PubChem (CID 13010046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).