2,2-dimethyl-4-propan-2-yl-1,3-oxathiolane 3,3-dioxide

C8H16O3S — CID 58814946

IUPAC2,2-dimethyl-4-propan-2-yl-1,3-oxathiolane 3,3-dioxide
SMILESCC(C)C1COC(C)(C)S1(=O)=O
InChIInChI=1S/C8H16O3S/c1-6(2)7-5-11-8(3,4)12(7,9)10/h6-7H,5H2,1-4H3
InChIKeyUZLNNGKGLJYVGD-UHFFFAOYSA-N
MW192.28 g/mol
LogP1.19
Rot. Bonds1

About 2,2-dimethyl-4-propan-2-yl-1,3-oxathiolane 3,3-dioxide

2,2-dimethyl-4-propan-2-yl-1,3-oxathiolane 3,3-dioxide (PubChem CID 58814946) has the molecular formula C8H16O3S and a molecular weight of 192.28 g/mol. Its IUPAC name is 2,2-dimethyl-4-propan-2-yl-1,3-oxathiolane 3,3-dioxide.

Molecular Properties

Compound Name2,2-dimethyl-4-propan-2-yl-1,3-oxathiolane 3,3-dioxide
PubChem CID58814946
Molecular FormulaC8H16O3S
Molecular Weight192.28 g/mol
Exact Mass192.08
IUPAC Name2,2-dimethyl-4-propan-2-yl-1,3-oxathiolane 3,3-dioxide
SMILESCC(C)C1COC(C)(C)S1(=O)=O
InChIInChI=1S/C8H16O3S/c1-6(2)7-5-11-8(3,4)12(7,9)10/h6-7H,5H2,1-4H3
InChIKeyUZLNNGKGLJYVGD-UHFFFAOYSA-N
XLogP1.19
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-propan-2-yl-1,3-oxathiolane 3,3-dioxide?
The IUPAC name of 2,2-dimethyl-4-propan-2-yl-1,3-oxathiolane 3,3-dioxide (CID 58814946) is 2,2-dimethyl-4-propan-2-yl-1,3-oxathiolane 3,3-dioxide.
What is the SMILES notation for 2,2-dimethyl-4-propan-2-yl-1,3-oxathiolane 3,3-dioxide?
The canonical SMILES for 2,2-dimethyl-4-propan-2-yl-1,3-oxathiolane 3,3-dioxide is CC(C)C1COC(C)(C)S1(=O)=O.
What is the InChIKey of 2,2-dimethyl-4-propan-2-yl-1,3-oxathiolane 3,3-dioxide?
The InChIKey is UZLNNGKGLJYVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3S/c1-6(2)7-5-11-8(3,4)12(7,9)10/h6-7H,5H2,1-4H3.
What are the key properties of 2,2-dimethyl-4-propan-2-yl-1,3-oxathiolane 3,3-dioxide?
2,2-dimethyl-4-propan-2-yl-1,3-oxathiolane 3,3-dioxide has a molecular weight of 192.28 g/mol, XLogP of 1.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-propan-2-yl-1,3-oxathiolane 3,3-dioxide is sourced from PubChem (CID 58814946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).