(Z)-3-(1,1-dioxothian-2-yl)prop-2-en-1-ol

C8H14O3S — CID 117266011

IUPAC(Z)-3-(1,1-dioxothian-2-yl)prop-2-en-1-ol
SMILESO=S1(=O)CCCCC1/C=C\CO
InChIInChI=1S/C8H14O3S/c9-6-3-5-8-4-1-2-7-12(8,10)11/h3,5,8-9H,1-2,4,6-7H2/b5-3-
InChIKeyQUSPRHRPBMVFET-HYXAFXHYSA-N
MW190.26 g/mol
LogP0.50
Rot. Bonds2

About (Z)-3-(1,1-dioxothian-2-yl)prop-2-en-1-ol

(Z)-3-(1,1-dioxothian-2-yl)prop-2-en-1-ol (PubChem CID 117266011) has the molecular formula C8H14O3S and a molecular weight of 190.26 g/mol. Its IUPAC name is (Z)-3-(1,1-dioxothian-2-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name(Z)-3-(1,1-dioxothian-2-yl)prop-2-en-1-ol
PubChem CID117266011
Molecular FormulaC8H14O3S
Molecular Weight190.26 g/mol
Exact Mass190.07
IUPAC Name(Z)-3-(1,1-dioxothian-2-yl)prop-2-en-1-ol
SMILESO=S1(=O)CCCCC1/C=C\CO
InChIInChI=1S/C8H14O3S/c9-6-3-5-8-4-1-2-7-12(8,10)11/h3,5,8-9H,1-2,4,6-7H2/b5-3-
InChIKeyQUSPRHRPBMVFET-HYXAFXHYSA-N
XLogP0.50
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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

3-Hydroxy-5-pentyl-2,3-dihydrothiophene-1,1-dioxide
CID 16756467
(1Z)-1-(1,1-dioxothian-3-ylidene)propan-2-ol
CID 103971203
(2E)-2-(1,1-dioxothian-3-ylidene)ethanol
CID 115014739
2-(1,1-Dioxothian-4-ylidene)ethanol
CID 115014740
(2E)-2-(1,1-dioxothiepan-4-ylidene)ethanol
CID 115018277
(E)-3-(1,1-dioxothian-3-yl)prop-2-en-1-ol
CID 115018278
(E)-3-(1,1-dioxothian-4-yl)prop-2-en-1-ol
CID 115018279
(Z)-4-(1,1-dioxothian-4-yl)but-2-en-1-ol
CID 117265998
(Z)-3-(1,1-dioxothiolan-2-yl)prop-2-en-1-ol
CID 117266006
(Z)-3-(thian-2-yl)prop-2-en-1-ol
CID 117266012
(Z)-4-(1,1-dioxothiolan-2-yl)but-2-en-1-ol
CID 117266018
(Z)-4-(1,1-dioxothian-2-yl)but-2-en-1-ol
CID 117266024

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(1,1-dioxothian-2-yl)prop-2-en-1-ol?
The IUPAC name of (Z)-3-(1,1-dioxothian-2-yl)prop-2-en-1-ol (CID 117266011) is (Z)-3-(1,1-dioxothian-2-yl)prop-2-en-1-ol.
What is the SMILES notation for (Z)-3-(1,1-dioxothian-2-yl)prop-2-en-1-ol?
The canonical SMILES for (Z)-3-(1,1-dioxothian-2-yl)prop-2-en-1-ol is O=S1(=O)CCCCC1/C=C\CO.
What is the InChIKey of (Z)-3-(1,1-dioxothian-2-yl)prop-2-en-1-ol?
The InChIKey is QUSPRHRPBMVFET-HYXAFXHYSA-N. The full InChI is InChI=1S/C8H14O3S/c9-6-3-5-8-4-1-2-7-12(8,10)11/h3,5,8-9H,1-2,4,6-7H2/b5-3-.
What are the key properties of (Z)-3-(1,1-dioxothian-2-yl)prop-2-en-1-ol?
(Z)-3-(1,1-dioxothian-2-yl)prop-2-en-1-ol has a molecular weight of 190.26 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(1,1-dioxothian-2-yl)prop-2-en-1-ol is sourced from PubChem (CID 117266011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).