3-(2-methylpropyl)-1,1-dioxothiolan-3-ol

C8H16O3S — CID 63162935

IUPAC3-(2-methylpropyl)-1,1-dioxothiolan-3-ol
SMILESCC(C)CC1(O)CCS(=O)(=O)C1
InChIInChI=1S/C8H16O3S/c1-7(2)5-8(9)3-4-12(10,11)6-8/h7,9H,3-6H2,1-2H3
InChIKeyAZEJVOXTZQPURG-UHFFFAOYSA-N
MW192.28 g/mol
LogP0.58
Rot. Bonds2

About 3-(2-methylpropyl)-1,1-dioxothiolan-3-ol

3-(2-methylpropyl)-1,1-dioxothiolan-3-ol (PubChem CID 63162935) has the molecular formula C8H16O3S and a molecular weight of 192.28 g/mol. Its IUPAC name is 3-(2-methylpropyl)-1,1-dioxothiolan-3-ol.

Molecular Properties

Compound Name3-(2-methylpropyl)-1,1-dioxothiolan-3-ol
PubChem CID63162935
Molecular FormulaC8H16O3S
Molecular Weight192.28 g/mol
Exact Mass192.08
IUPAC Name3-(2-methylpropyl)-1,1-dioxothiolan-3-ol
SMILESCC(C)CC1(O)CCS(=O)(=O)C1
InChIInChI=1S/C8H16O3S/c1-7(2)5-8(9)3-4-12(10,11)6-8/h7,9H,3-6H2,1-2H3
InChIKeyAZEJVOXTZQPURG-UHFFFAOYSA-N
XLogP0.58
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Ethyltetrahydro-2,2-dimethylthiopyran-4-ol 1,1-dioxide
CID 129805814
2-[(2S)-2-ethylsulfanyl-1-oxothiolan-2-yl]propan-2-ol
CID 21588920
4-[(2-Hydroxy-2-propylpentyl)sulfonylmethyl]heptan-4-ol
CID 86090891
(3S)-3-ethylsulfinyl-2,4-dimethylpentan-2-ol
CID 58468994
(3S)-3-ethylsulfonyl-2,4-dimethylpentan-2-ol
CID 58469109
(3S)-2,4-dimethyl-3-methylsulfonylpentan-2-ol
CID 58469143
1,1-Dioxo-3-propylthiolan-3-ol
CID 63162892
3-Tert-butyl-1,1-dioxothiolan-3-ol
CID 65943799
3-Ethylsulfinyl-2,4-dimethylpentan-2-ol
CID 76795759
3-(2-Methylpropyl)thiolan-3-ol
CID 79949909
3-Ethylsulfonyl-2,4-dimethylhexan-2-ol
CID 88894860
3-[(R)-ethylsulfinyl]-2,4-dimethylpentan-2-ol
CID 89425452

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-1,1-dioxothiolan-3-ol?
The IUPAC name of 3-(2-methylpropyl)-1,1-dioxothiolan-3-ol (CID 63162935) is 3-(2-methylpropyl)-1,1-dioxothiolan-3-ol.
What is the SMILES notation for 3-(2-methylpropyl)-1,1-dioxothiolan-3-ol?
The canonical SMILES for 3-(2-methylpropyl)-1,1-dioxothiolan-3-ol is CC(C)CC1(O)CCS(=O)(=O)C1.
What is the InChIKey of 3-(2-methylpropyl)-1,1-dioxothiolan-3-ol?
The InChIKey is AZEJVOXTZQPURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3S/c1-7(2)5-8(9)3-4-12(10,11)6-8/h7,9H,3-6H2,1-2H3.
What are the key properties of 3-(2-methylpropyl)-1,1-dioxothiolan-3-ol?
3-(2-methylpropyl)-1,1-dioxothiolan-3-ol has a molecular weight of 192.28 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-1,1-dioxothiolan-3-ol is sourced from PubChem (CID 63162935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).