1-[(E)-3-methylsulfanylprop-2-enyl]cyclopent-2-en-1-ol

C9H14OS — CID 12715915

IUPAC1-[(E)-3-methylsulfanylprop-2-enyl]cyclopent-2-en-1-ol
SMILESCS/C=C/CC1(O)C=CCC1
InChIInChI=1S/C9H14OS/c1-11-8-4-7-9(10)5-2-3-6-9/h2,4-5,8,10H,3,6-7H2,1H3/b8-4+
InChIKeyZXTSYEFJNGSNNU-XBXARRHUSA-N
MW170.28 g/mol
LogP2.33
Rot. Bonds3

About 1-[(E)-3-methylsulfanylprop-2-enyl]cyclopent-2-en-1-ol

1-[(E)-3-methylsulfanylprop-2-enyl]cyclopent-2-en-1-ol (PubChem CID 12715915) has the molecular formula C9H14OS and a molecular weight of 170.28 g/mol. Its IUPAC name is 1-[(E)-3-methylsulfanylprop-2-enyl]cyclopent-2-en-1-ol.

Molecular Properties

Compound Name1-[(E)-3-methylsulfanylprop-2-enyl]cyclopent-2-en-1-ol
PubChem CID12715915
Molecular FormulaC9H14OS
Molecular Weight170.28 g/mol
Exact Mass170.08
IUPAC Name1-[(E)-3-methylsulfanylprop-2-enyl]cyclopent-2-en-1-ol
SMILESCS/C=C/CC1(O)C=CCC1
InChIInChI=1S/C9H14OS/c1-11-8-4-7-9(10)5-2-3-6-9/h2,4-5,8,10H,3,6-7H2,1H3/b8-4+
InChIKeyZXTSYEFJNGSNNU-XBXARRHUSA-N
XLogP2.33
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 ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[2-Methyl-3-(methylthio)allyl]cyclohex-2-enol
CID 5369084
1-(Methylsulfanylmethyl)cyclohex-2-en-1-ol
CID 13530217
1-Prop-2-enylcyclopent-2-en-1-ol
CID 15496107
2-Methyl-1-(prop-2-en-1-yl)cyclopent-2-en-1-ol
CID 15496108
3-(2,3-Dihydrothiophen-5-yl)hexan-3-ol
CID 134996483
2-Cyclohexen-1-ol, 1-[3-(methylthio)-2-propenyl]-, (Z)-
CID 5369083
1-[(Z)-3-methylsulfanylprop-2-enyl]cyclohex-2-en-1-ol
CID 21160298
1-[(E)-3-tert-butylsulfanylprop-2-enyl]cyclopent-2-en-1-ol
CID 12715916
1-(1-Tert-butylsulfanylprop-2-enyl)cyclopent-2-en-1-ol
CID 12715918
1-(1-Methylsulfanylprop-2-enyl)cyclopent-2-en-1-ol
CID 13010046
1-[(Z)-3-methylsulfanylprop-2-enyl]cyclopent-2-en-1-ol
CID 21638416
(1R)-2-methyl-1-prop-2-enylcyclopent-2-en-1-ol
CID 101354191

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-methylsulfanylprop-2-enyl]cyclopent-2-en-1-ol?
The IUPAC name of 1-[(E)-3-methylsulfanylprop-2-enyl]cyclopent-2-en-1-ol (CID 12715915) is 1-[(E)-3-methylsulfanylprop-2-enyl]cyclopent-2-en-1-ol.
What is the SMILES notation for 1-[(E)-3-methylsulfanylprop-2-enyl]cyclopent-2-en-1-ol?
The canonical SMILES for 1-[(E)-3-methylsulfanylprop-2-enyl]cyclopent-2-en-1-ol is CS/C=C/CC1(O)C=CCC1.
What is the InChIKey of 1-[(E)-3-methylsulfanylprop-2-enyl]cyclopent-2-en-1-ol?
The InChIKey is ZXTSYEFJNGSNNU-XBXARRHUSA-N. The full InChI is InChI=1S/C9H14OS/c1-11-8-4-7-9(10)5-2-3-6-9/h2,4-5,8,10H,3,6-7H2,1H3/b8-4+.
What are the key properties of 1-[(E)-3-methylsulfanylprop-2-enyl]cyclopent-2-en-1-ol?
1-[(E)-3-methylsulfanylprop-2-enyl]cyclopent-2-en-1-ol has a molecular weight of 170.28 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-methylsulfanylprop-2-enyl]cyclopent-2-en-1-ol is sourced from PubChem (CID 12715915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).