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

C10H18O5S — CID 117168345

IUPAC2-[2-(1,1-dioxothiolan-3-yl)-2-methyl-1,3-dioxolan-4-yl]ethanol
SMILESCC1(C2CCS(=O)(=O)C2)OCC(CCO)O1
InChIInChI=1S/C10H18O5S/c1-10(8-3-5-16(12,13)7-8)14-6-9(15-10)2-4-11/h8-9,11H,2-7H2,1H3
InChIKeyALAGYZDYPOHERA-UHFFFAOYSA-N
MW250.32 g/mol
LogP-0.06
Rot. Bonds3

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

2-[2-(1,1-dioxothiolan-3-yl)-2-methyl-1,3-dioxolan-4-yl]ethanol (PubChem CID 117168345) has the molecular formula C10H18O5S and a molecular weight of 250.32 g/mol. Its IUPAC name is 2-[2-(1,1-dioxothiolan-3-yl)-2-methyl-1,3-dioxolan-4-yl]ethanol.

Molecular Properties

Compound Name2-[2-(1,1-dioxothiolan-3-yl)-2-methyl-1,3-dioxolan-4-yl]ethanol
PubChem CID117168345
Molecular FormulaC10H18O5S
Molecular Weight250.32 g/mol
Exact Mass250.09
IUPAC Name2-[2-(1,1-dioxothiolan-3-yl)-2-methyl-1,3-dioxolan-4-yl]ethanol
SMILESCC1(C2CCS(=O)(=O)C2)OCC(CCO)O1
InChIInChI=1S/C10H18O5S/c1-10(8-3-5-16(12,13)7-8)14-6-9(15-10)2-4-11/h8-9,11H,2-7H2,1H3
InChIKeyALAGYZDYPOHERA-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-dioxothiolan-3-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-Dioxothiolan-3-yl)-1,3-dioxolan-4-yl]methanol
CID 115094408

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,1-dioxothiolan-3-yl)-2-methyl-1,3-dioxolan-4-yl]ethanol?
The IUPAC name of 2-[2-(1,1-dioxothiolan-3-yl)-2-methyl-1,3-dioxolan-4-yl]ethanol (CID 117168345) is 2-[2-(1,1-dioxothiolan-3-yl)-2-methyl-1,3-dioxolan-4-yl]ethanol.
What is the SMILES notation for 2-[2-(1,1-dioxothiolan-3-yl)-2-methyl-1,3-dioxolan-4-yl]ethanol?
The canonical SMILES for 2-[2-(1,1-dioxothiolan-3-yl)-2-methyl-1,3-dioxolan-4-yl]ethanol is CC1(C2CCS(=O)(=O)C2)OCC(CCO)O1.
What is the InChIKey of 2-[2-(1,1-dioxothiolan-3-yl)-2-methyl-1,3-dioxolan-4-yl]ethanol?
The InChIKey is ALAGYZDYPOHERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O5S/c1-10(8-3-5-16(12,13)7-8)14-6-9(15-10)2-4-11/h8-9,11H,2-7H2,1H3.
What are the key properties of 2-[2-(1,1-dioxothiolan-3-yl)-2-methyl-1,3-dioxolan-4-yl]ethanol?
2-[2-(1,1-dioxothiolan-3-yl)-2-methyl-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-dioxothiolan-3-yl)-2-methyl-1,3-dioxolan-4-yl]ethanol is sourced from PubChem (CID 117168345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).