4-(ethylsulfonylmethyl)-1,3-dioxolane

C6H12O4S — CID 89314081

IUPAC4-(ethylsulfonylmethyl)-1,3-dioxolane
SMILESCCS(=O)(=O)CC1COCO1
InChIInChI=1S/C6H12O4S/c1-2-11(7,8)4-6-3-9-5-10-6/h6H,2-5H2,1H3
InChIKeySRADLOWUFHVJMX-UHFFFAOYSA-N
MW180.22 g/mol
LogP-0.21
Rot. Bonds3

About 4-(ethylsulfonylmethyl)-1,3-dioxolane

4-(ethylsulfonylmethyl)-1,3-dioxolane (PubChem CID 89314081) has the molecular formula C6H12O4S and a molecular weight of 180.22 g/mol. Its IUPAC name is 4-(ethylsulfonylmethyl)-1,3-dioxolane.

Molecular Properties

Compound Name4-(ethylsulfonylmethyl)-1,3-dioxolane
PubChem CID89314081
Molecular FormulaC6H12O4S
Molecular Weight180.22 g/mol
Exact Mass180.05
IUPAC Name4-(ethylsulfonylmethyl)-1,3-dioxolane
SMILESCCS(=O)(=O)CC1COCO1
InChIInChI=1S/C6H12O4S/c1-2-11(7,8)4-6-3-9-5-10-6/h6H,2-5H2,1H3
InChIKeySRADLOWUFHVJMX-UHFFFAOYSA-N
XLogP-0.21
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.22
LogP ≤ 5-0.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(ethylsulfonylmethyl)-1,3-dioxolane?
The IUPAC name of 4-(ethylsulfonylmethyl)-1,3-dioxolane (CID 89314081) is 4-(ethylsulfonylmethyl)-1,3-dioxolane.
What is the SMILES notation for 4-(ethylsulfonylmethyl)-1,3-dioxolane?
The canonical SMILES for 4-(ethylsulfonylmethyl)-1,3-dioxolane is CCS(=O)(=O)CC1COCO1.
What is the InChIKey of 4-(ethylsulfonylmethyl)-1,3-dioxolane?
The InChIKey is SRADLOWUFHVJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O4S/c1-2-11(7,8)4-6-3-9-5-10-6/h6H,2-5H2,1H3.
What are the key properties of 4-(ethylsulfonylmethyl)-1,3-dioxolane?
4-(ethylsulfonylmethyl)-1,3-dioxolane has a molecular weight of 180.22 g/mol, XLogP of -0.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylsulfonylmethyl)-1,3-dioxolane is sourced from PubChem (CID 89314081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).