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

C12H20OS — CID 12715916

IUPAC1-[(E)-3-tert-butylsulfanylprop-2-enyl]cyclopent-2-en-1-ol
SMILESCC(C)(C)S/C=C/CC1(O)C=CCC1
InChIInChI=1S/C12H20OS/c1-11(2,3)14-10-6-9-12(13)7-4-5-8-12/h4,6-7,10,13H,5,8-9H2,1-3H3/b10-6+
InChIKeyBAVLAOXIJNGQOT-UXBLZVDNSA-N
MW212.36 g/mol
LogP3.50
Rot. Bonds3

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

1-[(E)-3-tert-butylsulfanylprop-2-enyl]cyclopent-2-en-1-ol (PubChem CID 12715916) has the molecular formula C12H20OS and a molecular weight of 212.36 g/mol. Its IUPAC name is 1-[(E)-3-tert-butylsulfanylprop-2-enyl]cyclopent-2-en-1-ol.

Molecular Properties

Compound Name1-[(E)-3-tert-butylsulfanylprop-2-enyl]cyclopent-2-en-1-ol
PubChem CID12715916
Molecular FormulaC12H20OS
Molecular Weight212.36 g/mol
Exact Mass212.12
IUPAC Name1-[(E)-3-tert-butylsulfanylprop-2-enyl]cyclopent-2-en-1-ol
SMILESCC(C)(C)S/C=C/CC1(O)C=CCC1
InChIInChI=1S/C12H20OS/c1-11(2,3)14-10-6-9-12(13)7-4-5-8-12/h4,6-7,10,13H,5,8-9H2,1-3H3/b10-6+
InChIKeyBAVLAOXIJNGQOT-UXBLZVDNSA-N
XLogP3.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 53.50
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-[[Iodo(dimethyl)-lambda4-sulfanyl]methyl]cyclohex-2-en-1-ol
CID 13530218
(1-Hydroxycyclohex-2-en-1-yl)methyl-dimethylsulfanium iodide
CID 86134012
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-(Ethylsulfanylethyl]-3,5,6-trimethylphenol
CID 86596502
1-[(E)-3-methylsulfanylprop-2-enyl]cyclopent-2-en-1-ol
CID 12715915
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

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-tert-butylsulfanylprop-2-enyl]cyclopent-2-en-1-ol?
The IUPAC name of 1-[(E)-3-tert-butylsulfanylprop-2-enyl]cyclopent-2-en-1-ol (CID 12715916) is 1-[(E)-3-tert-butylsulfanylprop-2-enyl]cyclopent-2-en-1-ol.
What is the SMILES notation for 1-[(E)-3-tert-butylsulfanylprop-2-enyl]cyclopent-2-en-1-ol?
The canonical SMILES for 1-[(E)-3-tert-butylsulfanylprop-2-enyl]cyclopent-2-en-1-ol is CC(C)(C)S/C=C/CC1(O)C=CCC1.
What is the InChIKey of 1-[(E)-3-tert-butylsulfanylprop-2-enyl]cyclopent-2-en-1-ol?
The InChIKey is BAVLAOXIJNGQOT-UXBLZVDNSA-N. The full InChI is InChI=1S/C12H20OS/c1-11(2,3)14-10-6-9-12(13)7-4-5-8-12/h4,6-7,10,13H,5,8-9H2,1-3H3/b10-6+.
What are the key properties of 1-[(E)-3-tert-butylsulfanylprop-2-enyl]cyclopent-2-en-1-ol?
1-[(E)-3-tert-butylsulfanylprop-2-enyl]cyclopent-2-en-1-ol has a molecular weight of 212.36 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-tert-butylsulfanylprop-2-enyl]cyclopent-2-en-1-ol is sourced from PubChem (CID 12715916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).