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

C11H20O5S — CID 117168541

IUPAC2-[2-[(1,1-dioxothiolan-3-yl)methyl]-2-methyl-1,3-dioxolan-4-yl]ethanol
SMILESCC1(CC2CCS(=O)(=O)C2)OCC(CCO)O1
InChIInChI=1S/C11H20O5S/c1-11(15-7-10(16-11)2-4-12)6-9-3-5-17(13,14)8-9/h9-10,12H,2-8H2,1H3
InChIKeyAWUAKJIIUALERQ-UHFFFAOYSA-N
MW264.34 g/mol
LogP0.33
Rot. Bonds4

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

2-[2-[(1,1-dioxothiolan-3-yl)methyl]-2-methyl-1,3-dioxolan-4-yl]ethanol (PubChem CID 117168541) has the molecular formula C11H20O5S and a molecular weight of 264.34 g/mol. Its IUPAC name is 2-[2-[(1,1-dioxothiolan-3-yl)methyl]-2-methyl-1,3-dioxolan-4-yl]ethanol.

Molecular Properties

Compound Name2-[2-[(1,1-dioxothiolan-3-yl)methyl]-2-methyl-1,3-dioxolan-4-yl]ethanol
PubChem CID117168541
Molecular FormulaC11H20O5S
Molecular Weight264.34 g/mol
Exact Mass264.10
IUPAC Name2-[2-[(1,1-dioxothiolan-3-yl)methyl]-2-methyl-1,3-dioxolan-4-yl]ethanol
SMILESCC1(CC2CCS(=O)(=O)C2)OCC(CCO)O1
InChIInChI=1S/C11H20O5S/c1-11(15-7-10(16-11)2-4-12)6-9-3-5-17(13,14)8-9/h9-10,12H,2-8H2,1H3
InChIKeyAWUAKJIIUALERQ-UHFFFAOYSA-N
XLogP0.33
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
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-dioxothiolan-3-yl)methyl]-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
[2-[(1,1-Dioxothiolan-3-yl)methyl]-1,3-dioxolan-4-yl]methanol
CID 115094448
[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-[2-Methyl-2-(thiolan-3-yl)-1,3-dioxolan-4-yl]ethanol
CID 117168349
[2-(1,1-Dioxothiolan-3-yl)-2-methyl-1,3-dioxolan-4-yl]methanol
CID 117168425
2-[2-(1,1-Dioxothian-4-yl)-2-methyl-1,3-dioxolan-4-yl]ethanol
CID 117168443
[2-(1,1-Dioxothian-4-yl)-2-methyl-1,3-dioxolan-4-yl]methanol
CID 117168523
2-[2-[(1,1-Dioxothiolan-3-yl)methyl]-1,3-dioxolan-4-yl]ethanol
CID 117168539
2-[2-Methyl-2-(thiolan-3-ylmethyl)-1,3-dioxolan-4-yl]ethanol
CID 117168545
2-[2-[(1,1-Dioxothiolan-3-yl)methyl]-2-methyl-1,3-dioxolan-4-yl]acetic acid
CID 117168568

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1,1-dioxothiolan-3-yl)methyl]-2-methyl-1,3-dioxolan-4-yl]ethanol?
The IUPAC name of 2-[2-[(1,1-dioxothiolan-3-yl)methyl]-2-methyl-1,3-dioxolan-4-yl]ethanol (CID 117168541) is 2-[2-[(1,1-dioxothiolan-3-yl)methyl]-2-methyl-1,3-dioxolan-4-yl]ethanol.
What is the SMILES notation for 2-[2-[(1,1-dioxothiolan-3-yl)methyl]-2-methyl-1,3-dioxolan-4-yl]ethanol?
The canonical SMILES for 2-[2-[(1,1-dioxothiolan-3-yl)methyl]-2-methyl-1,3-dioxolan-4-yl]ethanol is CC1(CC2CCS(=O)(=O)C2)OCC(CCO)O1.
What is the InChIKey of 2-[2-[(1,1-dioxothiolan-3-yl)methyl]-2-methyl-1,3-dioxolan-4-yl]ethanol?
The InChIKey is AWUAKJIIUALERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O5S/c1-11(15-7-10(16-11)2-4-12)6-9-3-5-17(13,14)8-9/h9-10,12H,2-8H2,1H3.
What are the key properties of 2-[2-[(1,1-dioxothiolan-3-yl)methyl]-2-methyl-1,3-dioxolan-4-yl]ethanol?
2-[2-[(1,1-dioxothiolan-3-yl)methyl]-2-methyl-1,3-dioxolan-4-yl]ethanol has a molecular weight of 264.34 g/mol, XLogP of 0.33, 4 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)methyl]-2-methyl-1,3-dioxolan-4-yl]ethanol is sourced from PubChem (CID 117168541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).