(Z)-5-(1,1-dioxothian-3-yl)pent-3-en-1-ol

C10H18O3S — CID 117267788

IUPAC(Z)-5-(1,1-dioxothian-3-yl)pent-3-en-1-ol
SMILESO=S1(=O)CCCC(C/C=C\CCO)C1
InChIInChI=1S/C10H18O3S/c11-7-3-1-2-5-10-6-4-8-14(12,13)9-10/h1-2,10-11H,3-9H2/b2-1-
InChIKeyOGSCGGRPHOWTBK-UPHRSURJSA-N
MW218.32 g/mol
LogP1.14
Rot. Bonds4

About (Z)-5-(1,1-dioxothian-3-yl)pent-3-en-1-ol

(Z)-5-(1,1-dioxothian-3-yl)pent-3-en-1-ol (PubChem CID 117267788) has the molecular formula C10H18O3S and a molecular weight of 218.32 g/mol. Its IUPAC name is (Z)-5-(1,1-dioxothian-3-yl)pent-3-en-1-ol.

Molecular Properties

Compound Name(Z)-5-(1,1-dioxothian-3-yl)pent-3-en-1-ol
PubChem CID117267788
Molecular FormulaC10H18O3S
Molecular Weight218.32 g/mol
Exact Mass218.10
IUPAC Name(Z)-5-(1,1-dioxothian-3-yl)pent-3-en-1-ol
SMILESO=S1(=O)CCCC(C/C=C\CCO)C1
InChIInChI=1S/C10H18O3S/c11-7-3-1-2-5-10-6-4-8-14(12,13)9-10/h1-2,10-11H,3-9H2/b2-1-
InChIKeyOGSCGGRPHOWTBK-UPHRSURJSA-N
XLogP1.14
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z)-5-(1,1-dioxothian-3-yl)pent-3-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-2-methyl-1-[(2S)-1-oxo-2-[(E)-prop-1-enyl]-1,3-dithian-2-yl]propan-1-ol
CID 14737999
2-Methyl-1-[2-(2-methylprop-1-enyl)-1,3-dithian-2-yl]-4-methylsulfonylbutan-1-ol
CID 46215750
1-Cyclohex-3-en-1-yl-3-methylsulfonylpropan-1-ol
CID 65150213
1-Cyclohex-3-en-1-yl-4-ethylsulfonylbutan-1-ol
CID 65150215
(1R)-2-methyl-1-[(2S)-1-oxo-2-[(E)-prop-1-enyl]-1,3-dithian-2-yl]propan-1-ol
CID 102060181
(1S)-2-methyl-1-[(2R)-1-oxo-2-[(E)-prop-1-enyl]-1,3-dithian-2-yl]propan-1-ol
CID 102060182
(1R)-2-methyl-1-[(2R)-1-oxo-2-[(E)-prop-1-enyl]-1,3-dithian-2-yl]propan-1-ol
CID 102060183
(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)-4-(1,1-dioxothian-3-yl)but-2-en-1-ol
CID 117266031
(Z)-4-(1,1-dioxothian-4-yl)but-3-en-1-ol
CID 117267362

Frequently Asked Questions

What is the IUPAC name of (Z)-5-(1,1-dioxothian-3-yl)pent-3-en-1-ol?
The IUPAC name of (Z)-5-(1,1-dioxothian-3-yl)pent-3-en-1-ol (CID 117267788) is (Z)-5-(1,1-dioxothian-3-yl)pent-3-en-1-ol.
What is the SMILES notation for (Z)-5-(1,1-dioxothian-3-yl)pent-3-en-1-ol?
The canonical SMILES for (Z)-5-(1,1-dioxothian-3-yl)pent-3-en-1-ol is O=S1(=O)CCCC(C/C=C\CCO)C1.
What is the InChIKey of (Z)-5-(1,1-dioxothian-3-yl)pent-3-en-1-ol?
The InChIKey is OGSCGGRPHOWTBK-UPHRSURJSA-N. The full InChI is InChI=1S/C10H18O3S/c11-7-3-1-2-5-10-6-4-8-14(12,13)9-10/h1-2,10-11H,3-9H2/b2-1-.
What are the key properties of (Z)-5-(1,1-dioxothian-3-yl)pent-3-en-1-ol?
(Z)-5-(1,1-dioxothian-3-yl)pent-3-en-1-ol has a molecular weight of 218.32 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-(1,1-dioxothian-3-yl)pent-3-en-1-ol is sourced from PubChem (CID 117267788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).