3-methyl-3-(2-methylprop-1-enoxymethyl)oxetane

C9H16O2 — CID 18341020

IUPAC3-methyl-3-(2-methylprop-1-enoxymethyl)oxetane
SMILESCC(C)=COCC1(C)COC1
InChIInChI=1S/C9H16O2/c1-8(2)4-10-5-9(3)6-11-7-9/h4H,5-7H2,1-3H3
InChIKeyXHPSUOZVIYTJTP-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.96
Rot. Bonds3

About 3-methyl-3-(2-methylprop-1-enoxymethyl)oxetane

3-methyl-3-(2-methylprop-1-enoxymethyl)oxetane (PubChem CID 18341020) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 3-methyl-3-(2-methylprop-1-enoxymethyl)oxetane.

Molecular Properties

Compound Name3-methyl-3-(2-methylprop-1-enoxymethyl)oxetane
PubChem CID18341020
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name3-methyl-3-(2-methylprop-1-enoxymethyl)oxetane
SMILESCC(C)=COCC1(C)COC1
InChIInChI=1S/C9H16O2/c1-8(2)4-10-5-9(3)6-11-7-9/h4H,5-7H2,1-3H3
InChIKeyXHPSUOZVIYTJTP-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-methyl-3-(2-methylprop-1-enoxymethyl)oxetane?
The IUPAC name of 3-methyl-3-(2-methylprop-1-enoxymethyl)oxetane (CID 18341020) is 3-methyl-3-(2-methylprop-1-enoxymethyl)oxetane.
What is the SMILES notation for 3-methyl-3-(2-methylprop-1-enoxymethyl)oxetane?
The canonical SMILES for 3-methyl-3-(2-methylprop-1-enoxymethyl)oxetane is CC(C)=COCC1(C)COC1.
What is the InChIKey of 3-methyl-3-(2-methylprop-1-enoxymethyl)oxetane?
The InChIKey is XHPSUOZVIYTJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-8(2)4-10-5-9(3)6-11-7-9/h4H,5-7H2,1-3H3.
What are the key properties of 3-methyl-3-(2-methylprop-1-enoxymethyl)oxetane?
3-methyl-3-(2-methylprop-1-enoxymethyl)oxetane 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-methyl-3-(2-methylprop-1-enoxymethyl)oxetane is sourced from PubChem (CID 18341020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).