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

C11H20O5S — CID 117168443

IUPAC2-[2-(1,1-dioxothian-4-yl)-2-methyl-1,3-dioxolan-4-yl]ethanol
SMILESCC1(C2CCS(=O)(=O)CC2)OCC(CCO)O1
InChIInChI=1S/C11H20O5S/c1-11(15-8-10(16-11)2-5-12)9-3-6-17(13,14)7-4-9/h9-10,12H,2-8H2,1H3
InChIKeyNLFQOSPDEFDSLI-UHFFFAOYSA-N
MW264.34 g/mol
LogP0.33
Rot. Bonds3

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

2-[2-(1,1-dioxothian-4-yl)-2-methyl-1,3-dioxolan-4-yl]ethanol (PubChem CID 117168443) has the molecular formula C11H20O5S and a molecular weight of 264.34 g/mol. Its IUPAC name is 2-[2-(1,1-dioxothian-4-yl)-2-methyl-1,3-dioxolan-4-yl]ethanol.

Molecular Properties

Compound Name2-[2-(1,1-dioxothian-4-yl)-2-methyl-1,3-dioxolan-4-yl]ethanol
PubChem CID117168443
Molecular FormulaC11H20O5S
Molecular Weight264.34 g/mol
Exact Mass264.10
IUPAC Name2-[2-(1,1-dioxothian-4-yl)-2-methyl-1,3-dioxolan-4-yl]ethanol
SMILESCC1(C2CCS(=O)(=O)CC2)OCC(CCO)O1
InChIInChI=1S/C11H20O5S/c1-11(15-8-10(16-11)2-5-12)9-3-6-17(13,14)7-4-9/h9-10,12H,2-8H2,1H3
InChIKeyNLFQOSPDEFDSLI-UHFFFAOYSA-N
XLogP0.33
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

(1R,2R,3R)-4-[(R)-tert-butylsulfinyl]-2-methyl-1-(2-methyl-1,3-dioxolan-2-yl)butane-1,3-diol
CID 44234867
[(2R,4S)-2-cyclopropyl-2-(methylsulfonylmethyl)-1,3-dioxolan-4-yl]methanol
CID 97628685
[(2S,4S)-2-cyclopropyl-2-(methylsulfonylmethyl)-1,3-dioxolan-4-yl]methanol
CID 97628686
[(2R,4R)-2-cyclopropyl-2-(methylsulfonylmethyl)-1,3-dioxolan-4-yl]methanol
CID 97628687
[(2S,4R)-2-cyclopropyl-2-(methylsulfonylmethyl)-1,3-dioxolan-4-yl]methanol
CID 97628688
[(2R,4S)-2-cyclopropyl-2-(ethylsulfonylmethyl)-1,3-dioxolan-4-yl]methanol
CID 97628755
[(2S,4S)-2-cyclopropyl-2-(ethylsulfonylmethyl)-1,3-dioxolan-4-yl]methanol
CID 97628756
[(2R,4R)-2-cyclopropyl-2-(ethylsulfonylmethyl)-1,3-dioxolan-4-yl]methanol
CID 97628757
[(2S,4R)-2-cyclopropyl-2-(ethylsulfonylmethyl)-1,3-dioxolan-4-yl]methanol
CID 97628758
(2-Cyclopropyl-2-methanesulfonylmethyl-[1,3]dioxolan-4-yl)-methanol
CID 102567468
(2-Cyclopropyl-2-ethanesulfonylmethyl-[1,3]dioxolan-4-yl)-methanol
CID 102567486
[2-(1,1-Dioxothian-4-yl)-1,3-dioxolan-4-yl]methanol
CID 115094427

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,1-dioxothian-4-yl)-2-methyl-1,3-dioxolan-4-yl]ethanol?
The IUPAC name of 2-[2-(1,1-dioxothian-4-yl)-2-methyl-1,3-dioxolan-4-yl]ethanol (CID 117168443) is 2-[2-(1,1-dioxothian-4-yl)-2-methyl-1,3-dioxolan-4-yl]ethanol.
What is the SMILES notation for 2-[2-(1,1-dioxothian-4-yl)-2-methyl-1,3-dioxolan-4-yl]ethanol?
The canonical SMILES for 2-[2-(1,1-dioxothian-4-yl)-2-methyl-1,3-dioxolan-4-yl]ethanol is CC1(C2CCS(=O)(=O)CC2)OCC(CCO)O1.
What is the InChIKey of 2-[2-(1,1-dioxothian-4-yl)-2-methyl-1,3-dioxolan-4-yl]ethanol?
The InChIKey is NLFQOSPDEFDSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O5S/c1-11(15-8-10(16-11)2-5-12)9-3-6-17(13,14)7-4-9/h9-10,12H,2-8H2,1H3.
What are the key properties of 2-[2-(1,1-dioxothian-4-yl)-2-methyl-1,3-dioxolan-4-yl]ethanol?
2-[2-(1,1-dioxothian-4-yl)-2-methyl-1,3-dioxolan-4-yl]ethanol has a molecular weight of 264.34 g/mol, XLogP of 0.33, 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)-2-methyl-1,3-dioxolan-4-yl]ethanol is sourced from PubChem (CID 117168443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).