3-methyl-3-(2-methylpropylsulfonylmethyl)oxetane

C9H18O3S — CID 170681409

IUPAC3-methyl-3-(2-methylpropylsulfonylmethyl)oxetane
SMILESCC(C)CS(=O)(=O)CC1(C)COC1
InChIInChI=1S/C9H18O3S/c1-8(2)4-13(10,11)7-9(3)5-12-6-9/h8H,4-7H2,1-3H3
InChIKeyBICOOPFEKOSSLU-UHFFFAOYSA-N
MW206.31 g/mol
LogP1.09
Rot. Bonds4

About 3-methyl-3-(2-methylpropylsulfonylmethyl)oxetane

3-methyl-3-(2-methylpropylsulfonylmethyl)oxetane (PubChem CID 170681409) has the molecular formula C9H18O3S and a molecular weight of 206.31 g/mol. Its IUPAC name is 3-methyl-3-(2-methylpropylsulfonylmethyl)oxetane.

Molecular Properties

Compound Name3-methyl-3-(2-methylpropylsulfonylmethyl)oxetane
PubChem CID170681409
Molecular FormulaC9H18O3S
Molecular Weight206.31 g/mol
Exact Mass206.10
IUPAC Name3-methyl-3-(2-methylpropylsulfonylmethyl)oxetane
SMILESCC(C)CS(=O)(=O)CC1(C)COC1
InChIInChI=1S/C9H18O3S/c1-8(2)4-13(10,11)7-9(3)5-12-6-9/h8H,4-7H2,1-3H3
InChIKeyBICOOPFEKOSSLU-UHFFFAOYSA-N
XLogP1.09
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(2-methylpropylsulfonylmethyl)oxetane?
The IUPAC name of 3-methyl-3-(2-methylpropylsulfonylmethyl)oxetane (CID 170681409) is 3-methyl-3-(2-methylpropylsulfonylmethyl)oxetane.
What is the SMILES notation for 3-methyl-3-(2-methylpropylsulfonylmethyl)oxetane?
The canonical SMILES for 3-methyl-3-(2-methylpropylsulfonylmethyl)oxetane is CC(C)CS(=O)(=O)CC1(C)COC1.
What is the InChIKey of 3-methyl-3-(2-methylpropylsulfonylmethyl)oxetane?
The InChIKey is BICOOPFEKOSSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3S/c1-8(2)4-13(10,11)7-9(3)5-12-6-9/h8H,4-7H2,1-3H3.
What are the key properties of 3-methyl-3-(2-methylpropylsulfonylmethyl)oxetane?
3-methyl-3-(2-methylpropylsulfonylmethyl)oxetane has a molecular weight of 206.31 g/mol, XLogP of 1.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(2-methylpropylsulfonylmethyl)oxetane is sourced from PubChem (CID 170681409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).