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

C8H14O5S — CID 115094408

IUPAC[2-(1,1-dioxothiolan-3-yl)-1,3-dioxolan-4-yl]methanol
SMILESO=S1(=O)CCC(C2OCC(CO)O2)C1
InChIInChI=1S/C8H14O5S/c9-3-7-4-12-8(13-7)6-1-2-14(10,11)5-6/h6-9H,1-5H2
InChIKeyFDNBZJHMMHWHPM-UHFFFAOYSA-N
MW222.26 g/mol
LogP-0.85
Rot. Bonds2

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

[2-(1,1-dioxothiolan-3-yl)-1,3-dioxolan-4-yl]methanol (PubChem CID 115094408) has the molecular formula C8H14O5S and a molecular weight of 222.26 g/mol. Its IUPAC name is [2-(1,1-dioxothiolan-3-yl)-1,3-dioxolan-4-yl]methanol.

Molecular Properties

Compound Name[2-(1,1-dioxothiolan-3-yl)-1,3-dioxolan-4-yl]methanol
PubChem CID115094408
Molecular FormulaC8H14O5S
Molecular Weight222.26 g/mol
Exact Mass222.06
IUPAC Name[2-(1,1-dioxothiolan-3-yl)-1,3-dioxolan-4-yl]methanol
SMILESO=S1(=O)CCC(C2OCC(CO)O2)C1
InChIInChI=1S/C8H14O5S/c9-3-7-4-12-8(13-7)6-1-2-14(10,11)5-6/h6-9H,1-5H2
InChIKeyFDNBZJHMMHWHPM-UHFFFAOYSA-N
XLogP-0.85
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 5-0.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(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-ethanesulfonylmethyl-[1,3]dioxolan-4-yl)-methanol
CID 102567486
[2-(Thiolan-3-yl)-1,3-dioxolan-4-yl]methanol
CID 115094409
[2-(1,1-Dioxothian-4-yl)-1,3-dioxolan-4-yl]methanol
CID 115094427
[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-(1,1-Dioxothian-3-yl)-1,3-dioxolan-4-yl]methanol
CID 115094489
[2-(1,1-Dioxothiolan-2-yl)-1,3-dioxolan-4-yl]methanol
CID 115094509
[2-[(1,1-Dioxothiolan-2-yl)methyl]-1,3-dioxolan-4-yl]methanol
CID 115094551

Frequently Asked Questions

What is the IUPAC name of [2-(1,1-dioxothiolan-3-yl)-1,3-dioxolan-4-yl]methanol?
The IUPAC name of [2-(1,1-dioxothiolan-3-yl)-1,3-dioxolan-4-yl]methanol (CID 115094408) is [2-(1,1-dioxothiolan-3-yl)-1,3-dioxolan-4-yl]methanol.
What is the SMILES notation for [2-(1,1-dioxothiolan-3-yl)-1,3-dioxolan-4-yl]methanol?
The canonical SMILES for [2-(1,1-dioxothiolan-3-yl)-1,3-dioxolan-4-yl]methanol is O=S1(=O)CCC(C2OCC(CO)O2)C1.
What is the InChIKey of [2-(1,1-dioxothiolan-3-yl)-1,3-dioxolan-4-yl]methanol?
The InChIKey is FDNBZJHMMHWHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O5S/c9-3-7-4-12-8(13-7)6-1-2-14(10,11)5-6/h6-9H,1-5H2.
What are the key properties of [2-(1,1-dioxothiolan-3-yl)-1,3-dioxolan-4-yl]methanol?
[2-(1,1-dioxothiolan-3-yl)-1,3-dioxolan-4-yl]methanol has a molecular weight of 222.26 g/mol, XLogP of -0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,1-dioxothiolan-3-yl)-1,3-dioxolan-4-yl]methanol is sourced from PubChem (CID 115094408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).