2,2-di(propan-2-yl)thiolane 1-oxide

C10H20OS — CID 176798165

IUPAC2,2-di(propan-2-yl)thiolane 1-oxide
SMILESCC(C)C1(C(C)C)CCCS1=O
InChIInChI=1S/C10H20OS/c1-8(2)10(9(3)4)6-5-7-12(10)11/h8-9H,5-7H2,1-4H3
InChIKeyWZVIDVKVHVATPT-UHFFFAOYSA-N
MW188.34 g/mol
LogP2.58
Rot. Bonds2

About 2,2-di(propan-2-yl)thiolane 1-oxide

2,2-di(propan-2-yl)thiolane 1-oxide (PubChem CID 176798165) has the molecular formula C10H20OS and a molecular weight of 188.34 g/mol. Its IUPAC name is 2,2-di(propan-2-yl)thiolane 1-oxide.

Molecular Properties

Compound Name2,2-di(propan-2-yl)thiolane 1-oxide
PubChem CID176798165
Molecular FormulaC10H20OS
Molecular Weight188.34 g/mol
Exact Mass188.12
IUPAC Name2,2-di(propan-2-yl)thiolane 1-oxide
SMILESCC(C)C1(C(C)C)CCCS1=O
InChIInChI=1S/C10H20OS/c1-8(2)10(9(3)4)6-5-7-12(10)11/h8-9H,5-7H2,1-4H3
InChIKeyWZVIDVKVHVATPT-UHFFFAOYSA-N
XLogP2.58
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-dimethylthiolane 1-oxide
CID 54564152
(2R)-1-[(1R,2R)-1-oxo-2-propan-2-ylsulfanylthiolan-2-yl]propan-2-ol
CID 10633598
(2S)-1-[(2S)-1-oxo-2-propan-2-ylsulfanylthiolan-2-yl]propan-2-ol
CID 100970308
1,5-di(propan-2-yl)bicyclo[3.3.3]undecane
CID 177092419
1-propan-2-ylcycloheptane-1-carbaldehyde
CID 130026144
1,1-di(propan-2-yl)cycloheptane
CID 23589303
N-(1-propan-2-ylcyclohexyl)formamide
CID 54536846
1-N,1-N',2-tri(propan-2-yl)-2-silylcyclopentane-1,1-diamine
CID 173002330
carbon dioxide;2-propan-2-ylspiro[3.3]heptan-2-ol
CID 157101626
2-(1-propan-2-ylcyclohexyl)acetaldehyde
CID 57205409
1-propan-2-yl-1-propan-2-ylsulfanylcyclobutane
CID 164846029
7-methyl-7-propan-2-ylspiro[3.5]nonane
CID 142824876

Frequently Asked Questions

What is the IUPAC name of 2,2-di(propan-2-yl)thiolane 1-oxide?
The IUPAC name of 2,2-di(propan-2-yl)thiolane 1-oxide (CID 176798165) is 2,2-di(propan-2-yl)thiolane 1-oxide.
What is the SMILES notation for 2,2-di(propan-2-yl)thiolane 1-oxide?
The canonical SMILES for 2,2-di(propan-2-yl)thiolane 1-oxide is CC(C)C1(C(C)C)CCCS1=O.
What is the InChIKey of 2,2-di(propan-2-yl)thiolane 1-oxide?
The InChIKey is WZVIDVKVHVATPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20OS/c1-8(2)10(9(3)4)6-5-7-12(10)11/h8-9H,5-7H2,1-4H3.
What are the key properties of 2,2-di(propan-2-yl)thiolane 1-oxide?
2,2-di(propan-2-yl)thiolane 1-oxide has a molecular weight of 188.34 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-di(propan-2-yl)thiolane 1-oxide is sourced from PubChem (CID 176798165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).