3-(tert-butylsulfinylmethyl)-3-propan-2-yloxetane

C11H22O2S — CID 167638313

IUPAC3-(tert-butylsulfinylmethyl)-3-propan-2-yloxetane
SMILESCC(C)C1(CS(=O)C(C)(C)C)COC1
InChIInChI=1S/C11H22O2S/c1-9(2)11(6-13-7-11)8-14(12)10(3,4)5/h9H,6-8H2,1-5H3
InChIKeyOUJCKVYSXLOUBA-UHFFFAOYSA-N
MW218.36 g/mol
LogP2.21
Rot. Bonds3

About 3-(tert-butylsulfinylmethyl)-3-propan-2-yloxetane

3-(tert-butylsulfinylmethyl)-3-propan-2-yloxetane (PubChem CID 167638313) has the molecular formula C11H22O2S and a molecular weight of 218.36 g/mol. Its IUPAC name is 3-(tert-butylsulfinylmethyl)-3-propan-2-yloxetane.

Molecular Properties

Compound Name3-(tert-butylsulfinylmethyl)-3-propan-2-yloxetane
PubChem CID167638313
Molecular FormulaC11H22O2S
Molecular Weight218.36 g/mol
Exact Mass218.13
IUPAC Name3-(tert-butylsulfinylmethyl)-3-propan-2-yloxetane
SMILESCC(C)C1(CS(=O)C(C)(C)C)COC1
InChIInChI=1S/C11H22O2S/c1-9(2)11(6-13-7-11)8-14(12)10(3,4)5/h9H,6-8H2,1-5H3
InChIKeyOUJCKVYSXLOUBA-UHFFFAOYSA-N
XLogP2.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.36
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[Difluoro(3-methylbutylsulfonyl)methyl]-3-propan-2-yloxetane
CID 164775754
3-Tert-butyl-3-methylsulfonyloxetane
CID 126763965
3-(3-Methylbutylsulfonylmethyl)-3-propan-2-yloxetane
CID 140915565
3-Tert-butyloxetane;3-tert-butylthietane 1,1-dioxide
CID 160736538
2-(3-Methyloxetan-3-yl)-1-(2-methylpropylsulfinyl)propan-2-ol
CID 167041228
(8S)-8-methyl-2-oxa-6lambda6-thiaspiro[3.4]octane 6,6-dioxide
CID 167079491
3-(Methoxymethyl)-3-propan-2-ylthietane
CID 167542491
3-Methyl-3-(2-methylpropylsulfonylmethyl)oxetane
CID 170681409
(2S,5S)-5-tert-butyl-2-(ethylsulfanylmethyl)-1,3-oxathiane 3-oxide
CID 122208608
5-Tert-butyl-1,3-oxathiane 3-oxide
CID 132551027
(2R)-1-[2-(3,3-dimethylbutoxy)ethylsulfonyl]-2,3,3-trimethylbutane
CID 160315095
3-(2-Tert-butylsulfonylethyl)-3-methyloxetane
CID 160692118

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylsulfinylmethyl)-3-propan-2-yloxetane?
The IUPAC name of 3-(tert-butylsulfinylmethyl)-3-propan-2-yloxetane (CID 167638313) is 3-(tert-butylsulfinylmethyl)-3-propan-2-yloxetane.
What is the SMILES notation for 3-(tert-butylsulfinylmethyl)-3-propan-2-yloxetane?
The canonical SMILES for 3-(tert-butylsulfinylmethyl)-3-propan-2-yloxetane is CC(C)C1(CS(=O)C(C)(C)C)COC1.
What is the InChIKey of 3-(tert-butylsulfinylmethyl)-3-propan-2-yloxetane?
The InChIKey is OUJCKVYSXLOUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2S/c1-9(2)11(6-13-7-11)8-14(12)10(3,4)5/h9H,6-8H2,1-5H3.
What are the key properties of 3-(tert-butylsulfinylmethyl)-3-propan-2-yloxetane?
3-(tert-butylsulfinylmethyl)-3-propan-2-yloxetane has a molecular weight of 218.36 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylsulfinylmethyl)-3-propan-2-yloxetane is sourced from PubChem (CID 167638313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).