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

C8H14O3S — CID 117267313

IUPAC(Z)-4-(1,1-dioxothiolan-3-yl)but-3-en-1-ol
SMILESO=S1(=O)CCC(/C=C\CCO)C1
InChIInChI=1S/C8H14O3S/c9-5-2-1-3-8-4-6-12(10,11)7-8/h1,3,8-9H,2,4-7H2/b3-1-
InChIKeyZJCNUSSQCHFOID-IWQZZHSRSA-N
MW190.26 g/mol
LogP0.36
Rot. Bonds3

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

(Z)-4-(1,1-dioxothiolan-3-yl)but-3-en-1-ol (PubChem CID 117267313) has the molecular formula C8H14O3S and a molecular weight of 190.26 g/mol. Its IUPAC name is (Z)-4-(1,1-dioxothiolan-3-yl)but-3-en-1-ol.

Molecular Properties

Compound Name(Z)-4-(1,1-dioxothiolan-3-yl)but-3-en-1-ol
PubChem CID117267313
Molecular FormulaC8H14O3S
Molecular Weight190.26 g/mol
Exact Mass190.07
IUPAC Name(Z)-4-(1,1-dioxothiolan-3-yl)but-3-en-1-ol
SMILESO=S1(=O)CCC(/C=C\CCO)C1
InChIInChI=1S/C8H14O3S/c9-5-2-1-3-8-4-6-12(10,11)7-8/h1,3,8-9H,2,4-7H2/b3-1-
InChIKeyZJCNUSSQCHFOID-IWQZZHSRSA-N
XLogP0.36
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 ≤ 50.36
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

1-(1,1-Dioxo-2,5-dihydrothiophen-2-yl)ethanol
CID 45086229
4-Ethenyl-1,1-dioxothiolan-3-ol
CID 14791440
2-Thiophenemethanol, 2,5-dihydro-, 1,1-dioxide
CID 45083611
(3R,4S)-4-ethenyl-1,1-dioxothiolan-3-ol
CID 97629188
(3R,4R)-4-ethenyl-1,1-dioxothiolan-3-ol
CID 97629189
(3S,4S)-4-ethenyl-1,1-dioxothiolan-3-ol
CID 97629190
(3S,4R)-4-ethenyl-1,1-dioxothiolan-3-ol
CID 97629191
3-(3-Hydroxyprop-1-en-1-yl)-1lambda6-thiolane-1,1-dione
CID 115014741
(Z)-4-(1,1-dioxothiolan-3-yl)but-2-en-1-ol
CID 117265991
(Z)-4-(thiolan-3-yl)but-3-en-1-ol
CID 117267314
(Z)-4-(1,1-dioxothian-4-yl)but-3-en-1-ol
CID 117267362
(Z)-5-(1,1-dioxothiolan-3-yl)pent-3-en-1-ol
CID 117267416

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(1,1-dioxothiolan-3-yl)but-3-en-1-ol?
The IUPAC name of (Z)-4-(1,1-dioxothiolan-3-yl)but-3-en-1-ol (CID 117267313) is (Z)-4-(1,1-dioxothiolan-3-yl)but-3-en-1-ol.
What is the SMILES notation for (Z)-4-(1,1-dioxothiolan-3-yl)but-3-en-1-ol?
The canonical SMILES for (Z)-4-(1,1-dioxothiolan-3-yl)but-3-en-1-ol is O=S1(=O)CCC(/C=C\CCO)C1.
What is the InChIKey of (Z)-4-(1,1-dioxothiolan-3-yl)but-3-en-1-ol?
The InChIKey is ZJCNUSSQCHFOID-IWQZZHSRSA-N. The full InChI is InChI=1S/C8H14O3S/c9-5-2-1-3-8-4-6-12(10,11)7-8/h1,3,8-9H,2,4-7H2/b3-1-.
What are the key properties of (Z)-4-(1,1-dioxothiolan-3-yl)but-3-en-1-ol?
(Z)-4-(1,1-dioxothiolan-3-yl)but-3-en-1-ol has a molecular weight of 190.26 g/mol, XLogP of 0.36, 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-3-yl)but-3-en-1-ol is sourced from PubChem (CID 117267313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).