3-methyl-3-(propan-2-ylsulfanylmethyl)oxetane

C8H16OS — CID 15348400

IUPAC3-methyl-3-(propan-2-ylsulfanylmethyl)oxetane
SMILESCC(C)SCC1(C)COC1
InChIInChI=1S/C8H16OS/c1-7(2)10-6-8(3)4-9-5-8/h7H,4-6H2,1-3H3
InChIKeyIYDMVSHJIZXQKZ-UHFFFAOYSA-N
MW160.28 g/mol
LogP2.16
Rot. Bonds3

About 3-methyl-3-(propan-2-ylsulfanylmethyl)oxetane

3-methyl-3-(propan-2-ylsulfanylmethyl)oxetane (PubChem CID 15348400) has the molecular formula C8H16OS and a molecular weight of 160.28 g/mol. Its IUPAC name is 3-methyl-3-(propan-2-ylsulfanylmethyl)oxetane.

Molecular Properties

Compound Name3-methyl-3-(propan-2-ylsulfanylmethyl)oxetane
PubChem CID15348400
Molecular FormulaC8H16OS
Molecular Weight160.28 g/mol
Exact Mass160.09
IUPAC Name3-methyl-3-(propan-2-ylsulfanylmethyl)oxetane
SMILESCC(C)SCC1(C)COC1
InChIInChI=1S/C8H16OS/c1-7(2)10-6-8(3)4-9-5-8/h7H,4-6H2,1-3H3
InChIKeyIYDMVSHJIZXQKZ-UHFFFAOYSA-N
XLogP2.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.28
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-Methoxyethylsulfanyl)-2,2-dimethylpropane
CID 21060140
2-Pentylsulfanyloxetane
CID 68114350
Bis((3-methyloxetan-3-yl)methyl)sulfane
CID 71522609
2,2-Dimethyl-1-(3-methylsulfanylpropoxy)propane
CID 87678413
1-(2-Methoxyethylsulfanyl)-3,3-dimethylbutane
CID 88274309
1-Tert-butylsulfanyl-1-methoxy-2,2-dimethylpropane
CID 88857717
Ethyl-(3-methoxypropyl)-dimethyl-lambda4-sulfane
CID 90729484
1-(Ethylsulfanylmethoxy)-2,2-dimethylpropane
CID 118027022
1-(3-Ethylsulfanylpropoxy)-2,2-dimethylpropane
CID 118245617
3-Butylsulfanyloxetane
CID 123629086
3-(2-Ethoxyethylsulfanylmethyl)-3-methyloxetane
CID 126647801
3-Methyl-3-(methylsulfanylmethyl)oxetane
CID 129940383

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(propan-2-ylsulfanylmethyl)oxetane?
The IUPAC name of 3-methyl-3-(propan-2-ylsulfanylmethyl)oxetane (CID 15348400) is 3-methyl-3-(propan-2-ylsulfanylmethyl)oxetane.
What is the SMILES notation for 3-methyl-3-(propan-2-ylsulfanylmethyl)oxetane?
The canonical SMILES for 3-methyl-3-(propan-2-ylsulfanylmethyl)oxetane is CC(C)SCC1(C)COC1.
What is the InChIKey of 3-methyl-3-(propan-2-ylsulfanylmethyl)oxetane?
The InChIKey is IYDMVSHJIZXQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16OS/c1-7(2)10-6-8(3)4-9-5-8/h7H,4-6H2,1-3H3.
What are the key properties of 3-methyl-3-(propan-2-ylsulfanylmethyl)oxetane?
3-methyl-3-(propan-2-ylsulfanylmethyl)oxetane has a molecular weight of 160.28 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(propan-2-ylsulfanylmethyl)oxetane is sourced from PubChem (CID 15348400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).