1-(1,1-dioxothiolan-3-yl)-3-(oxolan-2-yl)propan-1-ol

C11H20O4S — CID 115336434

IUPAC1-(1,1-dioxothiolan-3-yl)-3-(oxolan-2-yl)propan-1-ol
SMILESO=S1(=O)CCC(C(O)CCC2CCCO2)C1
InChIInChI=1S/C11H20O4S/c12-11(4-3-10-2-1-6-15-10)9-5-7-16(13,14)8-9/h9-12H,1-8H2
InChIKeyZKSDQETYCMGKFZ-UHFFFAOYSA-N
MW248.34 g/mol
LogP0.74
Rot. Bonds4

About 1-(1,1-dioxothiolan-3-yl)-3-(oxolan-2-yl)propan-1-ol

1-(1,1-dioxothiolan-3-yl)-3-(oxolan-2-yl)propan-1-ol (PubChem CID 115336434) has the molecular formula C11H20O4S and a molecular weight of 248.34 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)-3-(oxolan-2-yl)propan-1-ol.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-3-yl)-3-(oxolan-2-yl)propan-1-ol
PubChem CID115336434
Molecular FormulaC11H20O4S
Molecular Weight248.34 g/mol
Exact Mass248.11
IUPAC Name1-(1,1-dioxothiolan-3-yl)-3-(oxolan-2-yl)propan-1-ol
SMILESO=S1(=O)CCC(C(O)CCC2CCCO2)C1
InChIInChI=1S/C11H20O4S/c12-11(4-3-10-2-1-6-15-10)9-5-7-16(13,14)8-9/h9-12H,1-8H2
InChIKeyZKSDQETYCMGKFZ-UHFFFAOYSA-N
XLogP0.74
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.34
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexyl-3-(oxan-2-yl)propan-1-ol
CID 115802147
3-(oxolan-2-yl)-1-(thiolan-3-yl)propan-1-ol
CID 105105032
3-(oxolan-2-yl)-1-piperidin-3-ylpropan-1-ol
CID 80559198
1-cyclobutyl-4-(oxolan-2-yl)butan-1-ol
CID 65167122
1-cyclopentyl-4-(oxan-2-yl)butan-2-ol
CID 115789825
1-(1,1-dioxothiolan-3-yl)hex-4-yn-1-ol
CID 104804177
1-(1,1-dioxothiolan-3-yl)-2-(methylamino)ethanol
CID 82279875
N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-3-[(2S)-oxolan-2-yl]propanamide
CID 94093395
2-[(1,1-dioxothiolan-3-yl)-[2-(oxolan-2-yl)ethyl]amino]acetic acid
CID 65162087
5-(oxolan-2-yl)pent-1-en-3-ol
CID 115814822
1-(oxolan-2-yl)heptane-3,4-diol
CID 103454796
1,1-dioxo-N-[2-(oxolan-2-yl)ethyl]thian-3-amine
CID 63922435

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-3-yl)-3-(oxolan-2-yl)propan-1-ol?
The IUPAC name of 1-(1,1-dioxothiolan-3-yl)-3-(oxolan-2-yl)propan-1-ol (CID 115336434) is 1-(1,1-dioxothiolan-3-yl)-3-(oxolan-2-yl)propan-1-ol.
What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)-3-(oxolan-2-yl)propan-1-ol?
The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)-3-(oxolan-2-yl)propan-1-ol is O=S1(=O)CCC(C(O)CCC2CCCO2)C1.
What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)-3-(oxolan-2-yl)propan-1-ol?
The InChIKey is ZKSDQETYCMGKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4S/c12-11(4-3-10-2-1-6-15-10)9-5-7-16(13,14)8-9/h9-12H,1-8H2.
What are the key properties of 1-(1,1-dioxothiolan-3-yl)-3-(oxolan-2-yl)propan-1-ol?
1-(1,1-dioxothiolan-3-yl)-3-(oxolan-2-yl)propan-1-ol has a molecular weight of 248.34 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothiolan-3-yl)-3-(oxolan-2-yl)propan-1-ol is sourced from PubChem (CID 115336434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).