(Z)-4-(1,1-dioxothiolan-2-yl)but-3-en-1-ol

C8H14O3S — CID 117267573

IUPAC(Z)-4-(1,1-dioxothiolan-2-yl)but-3-en-1-ol
SMILESO=S1(=O)CCCC1/C=C\CCO
InChIInChI=1S/C8H14O3S/c9-6-2-1-4-8-5-3-7-12(8,10)11/h1,4,8-9H,2-3,5-7H2/b4-1-
InChIKeyREPWJJAXZPOPHT-RJRFIUFISA-N
MW190.26 g/mol
LogP0.50
Rot. Bonds3

About (Z)-4-(1,1-dioxothiolan-2-yl)but-3-en-1-ol

(Z)-4-(1,1-dioxothiolan-2-yl)but-3-en-1-ol (PubChem CID 117267573) has the molecular formula C8H14O3S and a molecular weight of 190.26 g/mol. Its IUPAC name is (Z)-4-(1,1-dioxothiolan-2-yl)but-3-en-1-ol.

Molecular Properties

Compound Name(Z)-4-(1,1-dioxothiolan-2-yl)but-3-en-1-ol
PubChem CID117267573
Molecular FormulaC8H14O3S
Molecular Weight190.26 g/mol
Exact Mass190.07
IUPAC Name(Z)-4-(1,1-dioxothiolan-2-yl)but-3-en-1-ol
SMILESO=S1(=O)CCCC1/C=C\CCO
InChIInChI=1S/C8H14O3S/c9-6-2-1-4-8-5-3-7-12(8,10)11/h1,4,8-9H,2-3,5-7H2/b4-1-
InChIKeyREPWJJAXZPOPHT-RJRFIUFISA-N
XLogP0.50
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.26
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2S,5S)-5-methyl-1,1-dioxo-2,5-dihydrothiophen-2-yl]ethanol
CID 134887497
1-(1,1-Dioxo-2,5-dihydrothiophen-2-yl)ethanol
CID 45086229
2-Thiophenemethanol, 2,5-dihydro-, 1,1-dioxide
CID 45083611
(Z)-3-(1,1-dioxothiolan-2-yl)prop-2-en-1-ol
CID 117266006
(Z)-4-(1,1-dioxothiolan-2-yl)but-2-en-1-ol
CID 117266018
(Z)-4-(1,1-dioxothiolan-3-yl)but-3-en-1-ol
CID 117267313
(Z)-5-(1,1-dioxothiolan-3-yl)pent-3-en-1-ol
CID 117267416
(Z)-4-(thiolan-2-yl)but-3-en-1-ol
CID 117267574
(Z)-4-(1,1-dioxothian-2-yl)but-3-en-1-ol
CID 117267625
(Z)-5-(1,1-dioxothiolan-2-yl)pent-3-en-1-ol
CID 117267676
(Z)-5-(1,1-dioxothian-2-yl)pent-3-en-1-ol
CID 117267732

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(1,1-dioxothiolan-2-yl)but-3-en-1-ol?
The IUPAC name of (Z)-4-(1,1-dioxothiolan-2-yl)but-3-en-1-ol (CID 117267573) is (Z)-4-(1,1-dioxothiolan-2-yl)but-3-en-1-ol.
What is the SMILES notation for (Z)-4-(1,1-dioxothiolan-2-yl)but-3-en-1-ol?
The canonical SMILES for (Z)-4-(1,1-dioxothiolan-2-yl)but-3-en-1-ol is O=S1(=O)CCCC1/C=C\CCO.
What is the InChIKey of (Z)-4-(1,1-dioxothiolan-2-yl)but-3-en-1-ol?
The InChIKey is REPWJJAXZPOPHT-RJRFIUFISA-N. The full InChI is InChI=1S/C8H14O3S/c9-6-2-1-4-8-5-3-7-12(8,10)11/h1,4,8-9H,2-3,5-7H2/b4-1-.
What are the key properties of (Z)-4-(1,1-dioxothiolan-2-yl)but-3-en-1-ol?
(Z)-4-(1,1-dioxothiolan-2-yl)but-3-en-1-ol has a molecular weight of 190.26 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(1,1-dioxothiolan-2-yl)but-3-en-1-ol is sourced from PubChem (CID 117267573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).