1,3,2-dioxathiolane 2,2-dioxide;1,3,2-dioxathiolane 2-oxide;1,3,2-dioxathiole 2-oxide;ethane;4-ethyl-1,3,2-dioxathiolane 2,2-dioxide;4-methyl-1,3,2-dioxathiolane 2,2-dioxide;oxathiane 2,2-dioxide;oxathiolane 2,2-dioxide;4-propyl-1,3,2-dioxathiolane 2,2-dioxide

C41H96O28S8 — CID 158789382

About 1,3,2-dioxathiolane 2,2-dioxide;1,3,2-dioxathiolane 2-oxide;1,3,2-dioxathiole 2-oxide;ethane;4-ethyl-1,3,2-dioxathiolane 2,2-dioxide;4-methyl-1,3,2-dioxathiolane 2,2-dioxide;oxathiane 2,2-dioxide;oxathiolane 2,2-dioxide;4-propyl-1,3,2-dioxathiolane 2,2-dioxide

1,3,2-dioxathiolane 2,2-dioxide;1,3,2-dioxathiolane 2-oxide;1,3,2-dioxathiole 2-oxide;ethane;4-ethyl-1,3,2-dioxathiolane 2,2-dioxide;4-methyl-1,3,2-dioxathiolane 2,2-dioxide;oxathiane 2,2-dioxide;oxathiolane 2,2-dioxide;4-propyl-1,3,2-dioxathiolane 2,2-dioxide (PubChem CID 158789382) has the molecular formula C41H96O28S8 and a molecular weight of 1293.73 g/mol. Its IUPAC name is 1,3,2-dioxathiolane 2,2-dioxide;1,3,2-dioxathiolane 2-oxide;1,3,2-dioxathiole 2-oxide;ethane;4-ethyl-1,3,2-dioxathiolane 2,2-dioxide;4-methyl-1,3,2-dioxathiolane 2,2-dioxide;oxathiane 2,2-dioxide;oxathiolane 2,2-dioxide;4-propyl-1,3,2-dioxathiolane 2,2-dioxide.

Molecular Properties

• Compound Name: 1,3,2-dioxathiolane 2,2-dioxide;1,3,2-dioxathiolane 2-oxide;1,3,2-dioxathiole 2-oxide;ethane;4-ethyl-1,3,2-dioxathiolane 2,2-dioxide;4-methyl-1,3,2-dioxathiolane 2,2-dioxide;oxathiane 2,2-dioxide;oxathiolane 2,2-dioxide;4-propyl-1,3,2-dioxathiolane 2,2-dioxide
• PubChem CID: 158789382
• Molecular Formula: C41H96O28S8
• Molecular Weight: 1293.73 g/mol
• Exact Mass: 1292.39
• IUPAC Name: 1,3,2-dioxathiolane 2,2-dioxide;1,3,2-dioxathiolane 2-oxide;1,3,2-dioxathiole 2-oxide;ethane;4-ethyl-1,3,2-dioxathiolane 2,2-dioxide;4-methyl-1,3,2-dioxathiolane 2,2-dioxide;oxathiane 2,2-dioxide;oxathiolane 2,2-dioxide;4-propyl-1,3,2-dioxathiolane 2,2-dioxide
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC1COS(=O)(=O)O1.CCC1COS(=O)(=O)O1.CCCC1COS(=O)(=O)O1.O=S1(=O)CCCCO1.O=S1(=O)CCCO1.O=S1(=O)OCCO1.O=S1OC=CO1.O=S1OCCO1
• InChI: InChI=1S/C5H10O4S.C4H8O4S.C4H8O3S.C3H6O4S.C3H6O3S.C2H4O4S.C2H4O3S.C2H2O3S.8C2H6/c1-2-3-5-4-8-10(6,7)9-5;1-2-4-3-7-9(5,6)8-4;5-8(6)4-2-1-3-7-8;1-3-2-6-8(4,5)7-3;4-7(5)3-1-2-6-7;3-7(4)5-1-2-6-7;2*3-6-4-1-2-5-6;8*1-2/h5H,2-4H2,1H3;4H,2-3H2,1H3;1-4H2;3H,2H2,1H3;1-3H2;1-2H2;1-2H2;1-2H;8*1-2H3
• InChIKey: ISBRSKJYMABXND-UHFFFAOYSA-N
• XLogP: 7.22
• TPSA: 368.20 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 3
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1293.73
LogP ≤ 5	7.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,3,2-dioxathiolane 2,2-dioxide;1,3,2-dioxathiolane 2-oxide;1,3,2-dioxathiole 2-oxide;ethane;4-ethyl-1,3,2-dioxathiolane 2,2-dioxide;4-methyl-1,3,2-dioxathiolane 2,2-dioxide;oxathiane 2,2-dioxide;oxathiolane 2,2-dioxide;4-propyl-1,3,2-dioxathiolane 2,2-dioxide?

The IUPAC name of 1,3,2-dioxathiolane 2,2-dioxide;1,3,2-dioxathiolane 2-oxide;1,3,2-dioxathiole 2-oxide;ethane;4-ethyl-1,3,2-dioxathiolane 2,2-dioxide;4-methyl-1,3,2-dioxathiolane 2,2-dioxide;oxathiane 2,2-dioxide;oxathiolane 2,2-dioxide;4-propyl-1,3,2-dioxathiolane 2,2-dioxide (CID 158789382) is 1,3,2-dioxathiolane 2,2-dioxide;1,3,2-dioxathiolane 2-oxide;1,3,2-dioxathiole 2-oxide;ethane;4-ethyl-1,3,2-dioxathiolane 2,2-dioxide;4-methyl-1,3,2-dioxathiolane 2,2-dioxide;oxathiane 2,2-dioxide;oxathiolane 2,2-dioxide;4-propyl-1,3,2-dioxathiolane 2,2-dioxide.

What is the SMILES notation for 1,3,2-dioxathiolane 2,2-dioxide;1,3,2-dioxathiolane 2-oxide;1,3,2-dioxathiole 2-oxide;ethane;4-ethyl-1,3,2-dioxathiolane 2,2-dioxide;4-methyl-1,3,2-dioxathiolane 2,2-dioxide;oxathiane 2,2-dioxide;oxathiolane 2,2-dioxide;4-propyl-1,3,2-dioxathiolane 2,2-dioxide?

The canonical SMILES for 1,3,2-dioxathiolane 2,2-dioxide;1,3,2-dioxathiolane 2-oxide;1,3,2-dioxathiole 2-oxide;ethane;4-ethyl-1,3,2-dioxathiolane 2,2-dioxide;4-methyl-1,3,2-dioxathiolane 2,2-dioxide;oxathiane 2,2-dioxide;oxathiolane 2,2-dioxide;4-propyl-1,3,2-dioxathiolane 2,2-dioxide is CC.CC.CC.CC.CC.CC.CC.CC.CC1COS(=O)(=O)O1.CCC1COS(=O)(=O)O1.CCCC1COS(=O)(=O)O1.O=S1(=O)CCCCO1.O=S1(=O)CCCO1.O=S1(=O)OCCO1.O=S1OC=CO1.O=S1OCCO1.

What is the InChIKey of 1,3,2-dioxathiolane 2,2-dioxide;1,3,2-dioxathiolane 2-oxide;1,3,2-dioxathiole 2-oxide;ethane;4-ethyl-1,3,2-dioxathiolane 2,2-dioxide;4-methyl-1,3,2-dioxathiolane 2,2-dioxide;oxathiane 2,2-dioxide;oxathiolane 2,2-dioxide;4-propyl-1,3,2-dioxathiolane 2,2-dioxide?

The InChIKey is ISBRSKJYMABXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O4S.C4H8O4S.C4H8O3S.C3H6O4S.C3H6O3S.C2H4O4S.C2H4O3S.C2H2O3S.8C2H6/c1-2-3-5-4-8-10(6,7)9-5;1-2-4-3-7-9(5,6)8-4;5-8(6)4-2-1-3-7-8;1-3-2-6-8(4,5)7-3;4-7(5)3-1-2-6-7;3-7(4)5-1-2-6-7;2*3-6-4-1-2-5-6;8*1-2/h5H,2-4H2,1H3;4H,2-3H2,1H3;1-4H2;3H,2H2,1H3;1-3H2;1-2H2;1-2H2;1-2H;8*1-2H3.

What are the key properties of 1,3,2-dioxathiolane 2,2-dioxide;1,3,2-dioxathiolane 2-oxide;1,3,2-dioxathiole 2-oxide;ethane;4-ethyl-1,3,2-dioxathiolane 2,2-dioxide;4-methyl-1,3,2-dioxathiolane 2,2-dioxide;oxathiane 2,2-dioxide;oxathiolane 2,2-dioxide;4-propyl-1,3,2-dioxathiolane 2,2-dioxide?

1,3,2-dioxathiolane 2,2-dioxide;1,3,2-dioxathiolane 2-oxide;1,3,2-dioxathiole 2-oxide;ethane;4-ethyl-1,3,2-dioxathiolane 2,2-dioxide;4-methyl-1,3,2-dioxathiolane 2,2-dioxide;oxathiane 2,2-dioxide;oxathiolane 2,2-dioxide;4-propyl-1,3,2-dioxathiolane 2,2-dioxide has a molecular weight of 1293.73 g/mol, XLogP of 7.22, 3 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3,2-dioxathiolane 2,2-dioxide;1,3,2-dioxathiolane 2-oxide;1,3,2-dioxathiole 2-oxide;ethane;4-ethyl-1,3,2-dioxathiolane 2,2-dioxide;4-methyl-1,3,2-dioxathiolane 2,2-dioxide;oxathiane 2,2-dioxide;oxathiolane 2,2-dioxide;4-propyl-1,3,2-dioxathiolane 2,2-dioxide is sourced from PubChem (CID 158789382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).