4-(methylsulfonylmethyl)-1,3-dioxolan-2-one

C5H8O5S — CID 67079500

IUPAC4-(methylsulfonylmethyl)-1,3-dioxolan-2-one
SMILESCS(=O)(=O)CC1COC(=O)O1
InChIInChI=1S/C5H8O5S/c1-11(7,8)3-4-2-9-5(6)10-4/h4H,2-3H2,1H3
InChIKeyHAHCJABJPNMTPB-UHFFFAOYSA-N
MW180.18 g/mol
LogP-0.43
Rot. Bonds2

About 4-(methylsulfonylmethyl)-1,3-dioxolan-2-one

4-(methylsulfonylmethyl)-1,3-dioxolan-2-one (PubChem CID 67079500) has the molecular formula C5H8O5S and a molecular weight of 180.18 g/mol. Its IUPAC name is 4-(methylsulfonylmethyl)-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-(methylsulfonylmethyl)-1,3-dioxolan-2-one
PubChem CID67079500
Molecular FormulaC5H8O5S
Molecular Weight180.18 g/mol
Exact Mass180.01
IUPAC Name4-(methylsulfonylmethyl)-1,3-dioxolan-2-one
SMILESCS(=O)(=O)CC1COC(=O)O1
InChIInChI=1S/C5H8O5S/c1-11(7,8)3-4-2-9-5(6)10-4/h4H,2-3H2,1H3
InChIKeyHAHCJABJPNMTPB-UHFFFAOYSA-N
XLogP-0.43
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.18
LogP ≤ 5-0.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(methylsulfonylmethyl)-1,3-dioxolan-2-one?
The IUPAC name of 4-(methylsulfonylmethyl)-1,3-dioxolan-2-one (CID 67079500) is 4-(methylsulfonylmethyl)-1,3-dioxolan-2-one.
What is the SMILES notation for 4-(methylsulfonylmethyl)-1,3-dioxolan-2-one?
The canonical SMILES for 4-(methylsulfonylmethyl)-1,3-dioxolan-2-one is CS(=O)(=O)CC1COC(=O)O1.
What is the InChIKey of 4-(methylsulfonylmethyl)-1,3-dioxolan-2-one?
The InChIKey is HAHCJABJPNMTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O5S/c1-11(7,8)3-4-2-9-5(6)10-4/h4H,2-3H2,1H3.
What are the key properties of 4-(methylsulfonylmethyl)-1,3-dioxolan-2-one?
4-(methylsulfonylmethyl)-1,3-dioxolan-2-one has a molecular weight of 180.18 g/mol, XLogP of -0.43, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylsulfonylmethyl)-1,3-dioxolan-2-one is sourced from PubChem (CID 67079500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).