4,5-dibutyl-1,3,2-dioxathiolane 2,2-dioxide

C10H20O4S — CID 14264423

IUPAC4,5-dibutyl-1,3,2-dioxathiolane 2,2-dioxide
SMILESCCCCC1OS(=O)(=O)OC1CCCC
InChIInChI=1S/C10H20O4S/c1-3-5-7-9-10(8-6-4-2)14-15(11,12)13-9/h9-10H,3-8H2,1-2H3
InChIKeyUNBCRBGPJKMSKH-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.40
Rot. Bonds6

About 4,5-dibutyl-1,3,2-dioxathiolane 2,2-dioxide

4,5-dibutyl-1,3,2-dioxathiolane 2,2-dioxide (PubChem CID 14264423) has the molecular formula C10H20O4S and a molecular weight of 236.33 g/mol. Its IUPAC name is 4,5-dibutyl-1,3,2-dioxathiolane 2,2-dioxide.

Molecular Properties

Compound Name4,5-dibutyl-1,3,2-dioxathiolane 2,2-dioxide
PubChem CID14264423
Molecular FormulaC10H20O4S
Molecular Weight236.33 g/mol
Exact Mass236.11
IUPAC Name4,5-dibutyl-1,3,2-dioxathiolane 2,2-dioxide
SMILESCCCCC1OS(=O)(=O)OC1CCCC
InChIInChI=1S/C10H20O4S/c1-3-5-7-9-10(8-6-4-2)14-15(11,12)13-9/h9-10H,3-8H2,1-2H3
InChIKeyUNBCRBGPJKMSKH-UHFFFAOYSA-N
XLogP2.40
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4,5-dibutyl-1,3,2-dioxathiolane 2,2-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,5-dibutyl-1,3,2-dioxathiolane 2,2-dioxide?
The IUPAC name of 4,5-dibutyl-1,3,2-dioxathiolane 2,2-dioxide (CID 14264423) is 4,5-dibutyl-1,3,2-dioxathiolane 2,2-dioxide.
What is the SMILES notation for 4,5-dibutyl-1,3,2-dioxathiolane 2,2-dioxide?
The canonical SMILES for 4,5-dibutyl-1,3,2-dioxathiolane 2,2-dioxide is CCCCC1OS(=O)(=O)OC1CCCC.
What is the InChIKey of 4,5-dibutyl-1,3,2-dioxathiolane 2,2-dioxide?
The InChIKey is UNBCRBGPJKMSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O4S/c1-3-5-7-9-10(8-6-4-2)14-15(11,12)13-9/h9-10H,3-8H2,1-2H3.
What are the key properties of 4,5-dibutyl-1,3,2-dioxathiolane 2,2-dioxide?
4,5-dibutyl-1,3,2-dioxathiolane 2,2-dioxide has a molecular weight of 236.33 g/mol, XLogP of 2.40, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibutyl-1,3,2-dioxathiolane 2,2-dioxide is sourced from PubChem (CID 14264423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).