3-methyl-3-(2-methylpropyl)oxetane

C8H16O — CID 20692489

IUPAC3-methyl-3-(2-methylpropyl)oxetane
SMILESCC(C)CC1(C)COC1
InChIInChI=1S/C8H16O/c1-7(2)4-8(3)5-9-6-8/h7H,4-6H2,1-3H3
InChIKeyJEDXCXWWAQJSKD-UHFFFAOYSA-N
MW128.21 g/mol
LogP2.07
Rot. Bonds2

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

3-methyl-3-(2-methylpropyl)oxetane (PubChem CID 20692489) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is 3-methyl-3-(2-methylpropyl)oxetane.

Molecular Properties

Compound Name3-methyl-3-(2-methylpropyl)oxetane
PubChem CID20692489
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Name3-methyl-3-(2-methylpropyl)oxetane
SMILESCC(C)CC1(C)COC1
InChIInChI=1S/C8H16O/c1-7(2)4-8(3)5-9-6-8/h7H,4-6H2,1-3H3
InChIKeyJEDXCXWWAQJSKD-UHFFFAOYSA-N
XLogP2.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.21
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(2-methylpropyl)oxetane?
The IUPAC name of 3-methyl-3-(2-methylpropyl)oxetane (CID 20692489) is 3-methyl-3-(2-methylpropyl)oxetane.
What is the SMILES notation for 3-methyl-3-(2-methylpropyl)oxetane?
The canonical SMILES for 3-methyl-3-(2-methylpropyl)oxetane is CC(C)CC1(C)COC1.
What is the InChIKey of 3-methyl-3-(2-methylpropyl)oxetane?
The InChIKey is JEDXCXWWAQJSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O/c1-7(2)4-8(3)5-9-6-8/h7H,4-6H2,1-3H3.
What are the key properties of 3-methyl-3-(2-methylpropyl)oxetane?
3-methyl-3-(2-methylpropyl)oxetane has a molecular weight of 128.21 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(2-methylpropyl)oxetane is sourced from PubChem (CID 20692489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).