2-[2-(1,1-dioxothiolan-3-yl)-1,3-dioxolan-4-yl]ethanol

C9H16O5S — CID 117168343

IUPAC2-[2-(1,1-dioxothiolan-3-yl)-1,3-dioxolan-4-yl]ethanol
SMILESO=S1(=O)CCC(C2OCC(CCO)O2)C1
InChIInChI=1S/C9H16O5S/c10-3-1-8-5-13-9(14-8)7-2-4-15(11,12)6-7/h7-10H,1-6H2
InChIKeyVGCLSKAXERDXGN-UHFFFAOYSA-N
MW236.29 g/mol
LogP-0.46
Rot. Bonds3

About 2-[2-(1,1-dioxothiolan-3-yl)-1,3-dioxolan-4-yl]ethanol

2-[2-(1,1-dioxothiolan-3-yl)-1,3-dioxolan-4-yl]ethanol (PubChem CID 117168343) has the molecular formula C9H16O5S and a molecular weight of 236.29 g/mol. Its IUPAC name is 2-[2-(1,1-dioxothiolan-3-yl)-1,3-dioxolan-4-yl]ethanol.

Molecular Properties

Compound Name2-[2-(1,1-dioxothiolan-3-yl)-1,3-dioxolan-4-yl]ethanol
PubChem CID117168343
Molecular FormulaC9H16O5S
Molecular Weight236.29 g/mol
Exact Mass236.07
IUPAC Name2-[2-(1,1-dioxothiolan-3-yl)-1,3-dioxolan-4-yl]ethanol
SMILESO=S1(=O)CCC(C2OCC(CCO)O2)C1
InChIInChI=1S/C9H16O5S/c10-3-1-8-5-13-9(14-8)7-2-4-15(11,12)6-7/h7-10H,1-6H2
InChIKeyVGCLSKAXERDXGN-UHFFFAOYSA-N
XLogP-0.46
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(1,1-Dioxothiolan-3-yl)-1,3-dioxolan-4-yl]methanol
CID 115094408
[2-(1,1-Dioxothian-4-yl)-1,3-dioxolan-4-yl]methanol
CID 115094427
[2-[(1,1-Dioxothiolan-3-yl)methyl]-1,3-dioxolan-4-yl]methanol
CID 115094448
[2-[(1,1-Dioxothian-4-yl)methyl]-1,3-dioxolan-4-yl]methanol
CID 115094469
[2-(1,1-Dioxothian-3-yl)-1,3-dioxolan-4-yl]methanol
CID 115094489
[2-(1,1-Dioxothiolan-2-yl)-1,3-dioxolan-4-yl]methanol
CID 115094509
[2-[(1,1-Dioxothiolan-2-yl)methyl]-1,3-dioxolan-4-yl]methanol
CID 115094551
2-[2-(1,1-Dioxothiolan-3-yl)-2-methyl-1,3-dioxolan-4-yl]ethanol
CID 117168345
2-[2-(Thiolan-3-yl)-1,3-dioxolan-4-yl]ethanol
CID 117168347
[2-(1,1-Dioxothiolan-3-yl)-2-methyl-1,3-dioxolan-4-yl]methanol
CID 117168425
2-[2-(1,1-Dioxothian-4-yl)-1,3-dioxolan-4-yl]ethanol
CID 117168441
2-[2-(1,1-Dioxothian-4-yl)-2-methyl-1,3-dioxolan-4-yl]ethanol
CID 117168443

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,1-dioxothiolan-3-yl)-1,3-dioxolan-4-yl]ethanol?
The IUPAC name of 2-[2-(1,1-dioxothiolan-3-yl)-1,3-dioxolan-4-yl]ethanol (CID 117168343) is 2-[2-(1,1-dioxothiolan-3-yl)-1,3-dioxolan-4-yl]ethanol.
What is the SMILES notation for 2-[2-(1,1-dioxothiolan-3-yl)-1,3-dioxolan-4-yl]ethanol?
The canonical SMILES for 2-[2-(1,1-dioxothiolan-3-yl)-1,3-dioxolan-4-yl]ethanol is O=S1(=O)CCC(C2OCC(CCO)O2)C1.
What is the InChIKey of 2-[2-(1,1-dioxothiolan-3-yl)-1,3-dioxolan-4-yl]ethanol?
The InChIKey is VGCLSKAXERDXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O5S/c10-3-1-8-5-13-9(14-8)7-2-4-15(11,12)6-7/h7-10H,1-6H2.
What are the key properties of 2-[2-(1,1-dioxothiolan-3-yl)-1,3-dioxolan-4-yl]ethanol?
2-[2-(1,1-dioxothiolan-3-yl)-1,3-dioxolan-4-yl]ethanol has a molecular weight of 236.29 g/mol, XLogP of -0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,1-dioxothiolan-3-yl)-1,3-dioxolan-4-yl]ethanol is sourced from PubChem (CID 117168343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).