3-butyl-3-methyloxetane

C8H16O — CID 529293

IUPAC3-butyl-3-methyloxetane
SMILESCCCCC1(C)COC1
InChIInChI=1S/C8H16O/c1-3-4-5-8(2)6-9-7-8/h3-7H2,1-2H3
InChIKeyMOSBYOJBWJVFNS-UHFFFAOYSA-N
MW128.22 g/mol
LogP2.21
Rot. Bonds3

About 3-butyl-3-methyloxetane

3-butyl-3-methyloxetane (PubChem CID 529293) has the molecular formula C8H16O and a molecular weight of 128.22 g/mol. Its IUPAC name is 3-butyl-3-methyloxetane.

Molecular Properties

Compound Name3-butyl-3-methyloxetane
PubChem CID529293
Molecular FormulaC8H16O
Molecular Weight128.22 g/mol
Exact Mass128.12
IUPAC Name3-butyl-3-methyloxetane
SMILESCCCCC1(C)COC1
InChIInChI=1S/C8H16O/c1-3-4-5-8(2)6-9-7-8/h3-7H2,1-2H3
InChIKeyMOSBYOJBWJVFNS-UHFFFAOYSA-N
XLogP2.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-3-methyloxetane?
The IUPAC name of 3-butyl-3-methyloxetane (CID 529293) is 3-butyl-3-methyloxetane.
What is the SMILES notation for 3-butyl-3-methyloxetane?
The canonical SMILES for 3-butyl-3-methyloxetane is CCCCC1(C)COC1.
What is the InChIKey of 3-butyl-3-methyloxetane?
The InChIKey is MOSBYOJBWJVFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O/c1-3-4-5-8(2)6-9-7-8/h3-7H2,1-2H3.
What are the key properties of 3-butyl-3-methyloxetane?
3-butyl-3-methyloxetane has a molecular weight of 128.22 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-3-methyloxetane is sourced from PubChem (CID 529293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).