3-(but-2-en-2-yloxymethyl)-3-methyloxetane

C9H16O2 — CID 69400079

IUPAC3-(but-2-en-2-yloxymethyl)-3-methyloxetane
SMILESCC=C(C)OCC1(C)COC1
InChIInChI=1S/C9H16O2/c1-4-8(2)11-7-9(3)5-10-6-9/h4H,5-7H2,1-3H3
InChIKeyJWJMCKBJTSMKSS-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.96
Rot. Bonds3

About 3-(but-2-en-2-yloxymethyl)-3-methyloxetane

3-(but-2-en-2-yloxymethyl)-3-methyloxetane (PubChem CID 69400079) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 3-(but-2-en-2-yloxymethyl)-3-methyloxetane.

Molecular Properties

Compound Name3-(but-2-en-2-yloxymethyl)-3-methyloxetane
PubChem CID69400079
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name3-(but-2-en-2-yloxymethyl)-3-methyloxetane
SMILESCC=C(C)OCC1(C)COC1
InChIInChI=1S/C9H16O2/c1-4-8(2)11-7-9(3)5-10-6-9/h4H,5-7H2,1-3H3
InChIKeyJWJMCKBJTSMKSS-UHFFFAOYSA-N
XLogP1.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(but-2-en-2-yloxymethyl)-3-methyloxetane?
The IUPAC name of 3-(but-2-en-2-yloxymethyl)-3-methyloxetane (CID 69400079) is 3-(but-2-en-2-yloxymethyl)-3-methyloxetane.
What is the SMILES notation for 3-(but-2-en-2-yloxymethyl)-3-methyloxetane?
The canonical SMILES for 3-(but-2-en-2-yloxymethyl)-3-methyloxetane is CC=C(C)OCC1(C)COC1.
What is the InChIKey of 3-(but-2-en-2-yloxymethyl)-3-methyloxetane?
The InChIKey is JWJMCKBJTSMKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-4-8(2)11-7-9(3)5-10-6-9/h4H,5-7H2,1-3H3.
What are the key properties of 3-(but-2-en-2-yloxymethyl)-3-methyloxetane?
3-(but-2-en-2-yloxymethyl)-3-methyloxetane has a molecular weight of 156.22 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(but-2-en-2-yloxymethyl)-3-methyloxetane is sourced from PubChem (CID 69400079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).