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

C10H18O5S — CID 117168441

IUPAC2-[2-(1,1-dioxothian-4-yl)-1,3-dioxolan-4-yl]ethanol
SMILESO=S1(=O)CCC(C2OCC(CCO)O2)CC1
InChIInChI=1S/C10H18O5S/c11-4-1-9-7-14-10(15-9)8-2-5-16(12,13)6-3-8/h8-11H,1-7H2
InChIKeyZBRFVDZSJWUCBE-UHFFFAOYSA-N
MW250.32 g/mol
LogP-0.06
Rot. Bonds3

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

2-[2-(1,1-dioxothian-4-yl)-1,3-dioxolan-4-yl]ethanol (PubChem CID 117168441) has the molecular formula C10H18O5S and a molecular weight of 250.32 g/mol. Its IUPAC name is 2-[2-(1,1-dioxothian-4-yl)-1,3-dioxolan-4-yl]ethanol.

Molecular Properties

Compound Name2-[2-(1,1-dioxothian-4-yl)-1,3-dioxolan-4-yl]ethanol
PubChem CID117168441
Molecular FormulaC10H18O5S
Molecular Weight250.32 g/mol
Exact Mass250.09
IUPAC Name2-[2-(1,1-dioxothian-4-yl)-1,3-dioxolan-4-yl]ethanol
SMILESO=S1(=O)CCC(C2OCC(CCO)O2)CC1
InChIInChI=1S/C10H18O5S/c11-4-1-9-7-14-10(15-9)8-2-5-16(12,13)6-3-8/h8-11H,1-7H2
InChIKeyZBRFVDZSJWUCBE-UHFFFAOYSA-N
XLogP-0.06
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-(1,1-dioxothian-4-yl)-1,3-dioxolan-4-yl]ethanol with MolForge

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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-(Thian-4-yl)-1,3-dioxolan-4-yl]methanol
CID 115094429
[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-(Thian-4-ylmethyl)-1,3-dioxolan-4-yl]methanol
CID 115094471
[2-(1,1-Dioxothian-3-yl)-1,3-dioxolan-4-yl]methanol
CID 115094489
[2-(1,1-Dioxothian-2-yl)-1,3-dioxolan-4-yl]methanol
CID 115094530
[2-[(1,1-Dioxothian-3-yl)methyl]-1,3-dioxolan-4-yl]methanol
CID 115094593
2-[2-(1,1-Dioxothiolan-3-yl)-1,3-dioxolan-4-yl]ethanol
CID 117168343
2-[2-(1,1-Dioxothiolan-3-yl)-2-methyl-1,3-dioxolan-4-yl]ethanol
CID 117168345
[2-(1,1-Dioxothiolan-3-yl)-2-methyl-1,3-dioxolan-4-yl]methanol
CID 117168425

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,1-dioxothian-4-yl)-1,3-dioxolan-4-yl]ethanol?
The IUPAC name of 2-[2-(1,1-dioxothian-4-yl)-1,3-dioxolan-4-yl]ethanol (CID 117168441) is 2-[2-(1,1-dioxothian-4-yl)-1,3-dioxolan-4-yl]ethanol.
What is the SMILES notation for 2-[2-(1,1-dioxothian-4-yl)-1,3-dioxolan-4-yl]ethanol?
The canonical SMILES for 2-[2-(1,1-dioxothian-4-yl)-1,3-dioxolan-4-yl]ethanol is O=S1(=O)CCC(C2OCC(CCO)O2)CC1.
What is the InChIKey of 2-[2-(1,1-dioxothian-4-yl)-1,3-dioxolan-4-yl]ethanol?
The InChIKey is ZBRFVDZSJWUCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O5S/c11-4-1-9-7-14-10(15-9)8-2-5-16(12,13)6-3-8/h8-11H,1-7H2.
What are the key properties of 2-[2-(1,1-dioxothian-4-yl)-1,3-dioxolan-4-yl]ethanol?
2-[2-(1,1-dioxothian-4-yl)-1,3-dioxolan-4-yl]ethanol has a molecular weight of 250.32 g/mol, XLogP of -0.06, 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-dioxothian-4-yl)-1,3-dioxolan-4-yl]ethanol is sourced from PubChem (CID 117168441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).