2,2-dimethyl-1,3-oxathian-5-one

C6H10O2S — CID 134854103

IUPAC2,2-dimethyl-1,3-oxathian-5-one
SMILESCC1(C)OCC(=O)CS1
InChIInChI=1S/C6H10O2S/c1-6(2)8-3-5(7)4-9-6/h3-4H2,1-2H3
InChIKeyUJKHGSXKQKOWCM-UHFFFAOYSA-N
MW146.21 g/mol
LogP1.05
Rot. Bonds

About 2,2-dimethyl-1,3-oxathian-5-one

2,2-dimethyl-1,3-oxathian-5-one (PubChem CID 134854103) has the molecular formula C6H10O2S and a molecular weight of 146.21 g/mol. Its IUPAC name is 2,2-dimethyl-1,3-oxathian-5-one.

Molecular Properties

Compound Name2,2-dimethyl-1,3-oxathian-5-one
PubChem CID134854103
Molecular FormulaC6H10O2S
Molecular Weight146.21 g/mol
Exact Mass146.04
IUPAC Name2,2-dimethyl-1,3-oxathian-5-one
SMILESCC1(C)OCC(=O)CS1
InChIInChI=1S/C6H10O2S/c1-6(2)8-3-5(7)4-9-6/h3-4H2,1-2H3
InChIKeyUJKHGSXKQKOWCM-UHFFFAOYSA-N
XLogP1.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.21
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-Oxathiolane, 2-acetyl-2-methyl-
CID 538803
1-Butylthio-1-ethoxy-2-propanone
CID 13552703
3-Ethylsulfanyl-3-methoxybutan-2-one
CID 15473441
1-Butoxy-1-butylsulfanyl-2-propanone
CID 12170448
2-Methoxythian-3-one
CID 12622842
1-(1,3-Oxathiolan-2-yl)ethan-1-one
CID 12622844
1-(1,3-Oxathian-2-yl)ethanone
CID 12688715
3,6-Dimethyl-1,4-oxathiane-2,5-dione
CID 171383555
1-(1,4-Oxathian-4-ium-4-yl)butan-2-one
CID 18547411
1-(1,4-Oxathian-4-ium-4-yl)propan-2-one
CID 18547534
1-(2,6-Dimethyl-1,3-oxathian-2-yl)ethanone
CID 21417743
1,3-Oxathian-5-one
CID 23496918

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1,3-oxathian-5-one?
The IUPAC name of 2,2-dimethyl-1,3-oxathian-5-one (CID 134854103) is 2,2-dimethyl-1,3-oxathian-5-one.
What is the SMILES notation for 2,2-dimethyl-1,3-oxathian-5-one?
The canonical SMILES for 2,2-dimethyl-1,3-oxathian-5-one is CC1(C)OCC(=O)CS1.
What is the InChIKey of 2,2-dimethyl-1,3-oxathian-5-one?
The InChIKey is UJKHGSXKQKOWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2S/c1-6(2)8-3-5(7)4-9-6/h3-4H2,1-2H3.
What are the key properties of 2,2-dimethyl-1,3-oxathian-5-one?
2,2-dimethyl-1,3-oxathian-5-one has a molecular weight of 146.21 g/mol, XLogP of 1.05, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1,3-oxathian-5-one is sourced from PubChem (CID 134854103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).