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

C10H18O5S — CID 117168523

IUPAC[2-(1,1-dioxothian-4-yl)-2-methyl-1,3-dioxolan-4-yl]methanol
SMILESCC1(C2CCS(=O)(=O)CC2)OCC(CO)O1
InChIInChI=1S/C10H18O5S/c1-10(14-7-9(6-11)15-10)8-2-4-16(12,13)5-3-8/h8-9,11H,2-7H2,1H3
InChIKeyNREUWTKGPSMRFH-UHFFFAOYSA-N
MW250.32 g/mol
LogP-0.06
Rot. Bonds2

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

[2-(1,1-dioxothian-4-yl)-2-methyl-1,3-dioxolan-4-yl]methanol (PubChem CID 117168523) has the molecular formula C10H18O5S and a molecular weight of 250.32 g/mol. Its IUPAC name is [2-(1,1-dioxothian-4-yl)-2-methyl-1,3-dioxolan-4-yl]methanol.

Molecular Properties

Compound Name[2-(1,1-dioxothian-4-yl)-2-methyl-1,3-dioxolan-4-yl]methanol
PubChem CID117168523
Molecular FormulaC10H18O5S
Molecular Weight250.32 g/mol
Exact Mass250.09
IUPAC Name[2-(1,1-dioxothian-4-yl)-2-methyl-1,3-dioxolan-4-yl]methanol
SMILESCC1(C2CCS(=O)(=O)CC2)OCC(CO)O1
InChIInChI=1S/C10H18O5S/c1-10(14-7-9(6-11)15-10)8-2-4-16(12,13)5-3-8/h8-9,11H,2-7H2,1H3
InChIKeyNREUWTKGPSMRFH-UHFFFAOYSA-N
XLogP-0.06
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
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-(1,1-dioxothian-4-yl)-2-methyl-1,3-dioxolan-4-yl]methanol 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
[(2S,4S)-2-tert-butyl-2-(methylsulfonylmethyl)-1,3-dioxolan-4-yl]methanol
CID 97628677
[(2R,4S)-2-tert-butyl-2-(methylsulfonylmethyl)-1,3-dioxolan-4-yl]methanol
CID 97628678
[(2S,4R)-2-tert-butyl-2-(methylsulfonylmethyl)-1,3-dioxolan-4-yl]methanol
CID 97628679
[(2R,4R)-2-tert-butyl-2-(methylsulfonylmethyl)-1,3-dioxolan-4-yl]methanol
CID 97628680
[(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-(ethylsulfonylmethyl)-2-methyl-1,3-dioxolan-4-yl]methanol
CID 97628743
[(2S,4S)-2-(ethylsulfonylmethyl)-2-methyl-1,3-dioxolan-4-yl]methanol
CID 97628744
[(2R,4R)-2-(ethylsulfonylmethyl)-2-methyl-1,3-dioxolan-4-yl]methanol
CID 97628745

Frequently Asked Questions

What is the IUPAC name of [2-(1,1-dioxothian-4-yl)-2-methyl-1,3-dioxolan-4-yl]methanol?
The IUPAC name of [2-(1,1-dioxothian-4-yl)-2-methyl-1,3-dioxolan-4-yl]methanol (CID 117168523) is [2-(1,1-dioxothian-4-yl)-2-methyl-1,3-dioxolan-4-yl]methanol.
What is the SMILES notation for [2-(1,1-dioxothian-4-yl)-2-methyl-1,3-dioxolan-4-yl]methanol?
The canonical SMILES for [2-(1,1-dioxothian-4-yl)-2-methyl-1,3-dioxolan-4-yl]methanol is CC1(C2CCS(=O)(=O)CC2)OCC(CO)O1.
What is the InChIKey of [2-(1,1-dioxothian-4-yl)-2-methyl-1,3-dioxolan-4-yl]methanol?
The InChIKey is NREUWTKGPSMRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O5S/c1-10(14-7-9(6-11)15-10)8-2-4-16(12,13)5-3-8/h8-9,11H,2-7H2,1H3.
What are the key properties of [2-(1,1-dioxothian-4-yl)-2-methyl-1,3-dioxolan-4-yl]methanol?
[2-(1,1-dioxothian-4-yl)-2-methyl-1,3-dioxolan-4-yl]methanol has a molecular weight of 250.32 g/mol, XLogP of -0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,1-dioxothian-4-yl)-2-methyl-1,3-dioxolan-4-yl]methanol is sourced from PubChem (CID 117168523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).