1-(1-tert-butylsulfanylprop-2-enyl)cyclopent-2-en-1-ol

C12H20OS — CID 12715918

IUPAC1-(1-tert-butylsulfanylprop-2-enyl)cyclopent-2-en-1-ol
SMILESC=CC(SC(C)(C)C)C1(O)C=CCC1
InChIInChI=1S/C12H20OS/c1-5-10(14-11(2,3)4)12(13)8-6-7-9-12/h5-6,8,10,13H,1,7,9H2,2-4H3
InChIKeyPWNFVAKDWIAHHV-UHFFFAOYSA-N
MW212.36 g/mol
LogP3.15
Rot. Bonds3

About 1-(1-tert-butylsulfanylprop-2-enyl)cyclopent-2-en-1-ol

1-(1-tert-butylsulfanylprop-2-enyl)cyclopent-2-en-1-ol (PubChem CID 12715918) has the molecular formula C12H20OS and a molecular weight of 212.36 g/mol. Its IUPAC name is 1-(1-tert-butylsulfanylprop-2-enyl)cyclopent-2-en-1-ol.

Molecular Properties

Compound Name1-(1-tert-butylsulfanylprop-2-enyl)cyclopent-2-en-1-ol
PubChem CID12715918
Molecular FormulaC12H20OS
Molecular Weight212.36 g/mol
Exact Mass212.12
IUPAC Name1-(1-tert-butylsulfanylprop-2-enyl)cyclopent-2-en-1-ol
SMILESC=CC(SC(C)(C)C)C1(O)C=CCC1
InChIInChI=1S/C12H20OS/c1-5-10(14-11(2,3)4)12(13)8-6-7-9-12/h5-6,8,10,13H,1,7,9H2,2-4H3
InChIKeyPWNFVAKDWIAHHV-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
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-(3-methylbutan-2-yl)cyclohex-2-en-1-ol
CID 126999290
2,2,4,4-tetramethyl-3-(1-methylcyclopent-2-en-1-yl)pentan-3-ol
CID 100939176
1-aminocyclopent-2-en-1-ol
CID 23056881
1-pentan-2-ylcyclohex-2-en-1-ol
CID 107892794
S-[(1S)-1-prop-2-enylcyclohex-2-en-1-yl] N,N-di(propan-2-yl)carbamothioate
CID 11243004
1-methylcyclopent-2-ene-1-carboxylate
CID 23127641
1-(5,5-dimethylhexa-1,3-diynyl)cyclohex-2-en-1-ol
CID 10921589
N,N-bis[1-(1-tert-butylsulfanylethyl)cyclopropyl]hydroxylamine
CID 163917566
2-methylbut-3-en-2-yl 1-hydroperoxycyclohex-2-ene-1-carboxylate
CID 173386708
1-(1-acetylcyclopent-2-en-1-yl)ethanone
CID 45085922
1-ethynylcyclopent-2-en-1-ol
CID 13184286
(1-ethenylcyclohex-2-en-1-yl) 2-methylpropanoate
CID 86205503

Frequently Asked Questions

What is the IUPAC name of 1-(1-tert-butylsulfanylprop-2-enyl)cyclopent-2-en-1-ol?
The IUPAC name of 1-(1-tert-butylsulfanylprop-2-enyl)cyclopent-2-en-1-ol (CID 12715918) is 1-(1-tert-butylsulfanylprop-2-enyl)cyclopent-2-en-1-ol.
What is the SMILES notation for 1-(1-tert-butylsulfanylprop-2-enyl)cyclopent-2-en-1-ol?
The canonical SMILES for 1-(1-tert-butylsulfanylprop-2-enyl)cyclopent-2-en-1-ol is C=CC(SC(C)(C)C)C1(O)C=CCC1.
What is the InChIKey of 1-(1-tert-butylsulfanylprop-2-enyl)cyclopent-2-en-1-ol?
The InChIKey is PWNFVAKDWIAHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20OS/c1-5-10(14-11(2,3)4)12(13)8-6-7-9-12/h5-6,8,10,13H,1,7,9H2,2-4H3.
What are the key properties of 1-(1-tert-butylsulfanylprop-2-enyl)cyclopent-2-en-1-ol?
1-(1-tert-butylsulfanylprop-2-enyl)cyclopent-2-en-1-ol has a molecular weight of 212.36 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-tert-butylsulfanylprop-2-enyl)cyclopent-2-en-1-ol is sourced from PubChem (CID 12715918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).