3-[2-(2-methylprop-1-enoxy)ethyl]oxetane

C9H16O2 — CID 150729058

IUPAC3-[2-(2-methylprop-1-enoxy)ethyl]oxetane
SMILESCC(C)=COCCC1COC1
InChIInChI=1S/C9H16O2/c1-8(2)5-10-4-3-9-6-11-7-9/h5,9H,3-4,6-7H2,1-2H3
InChIKeyJRLJVANPLSRBHM-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.96
Rot. Bonds4

About 3-[2-(2-methylprop-1-enoxy)ethyl]oxetane

3-[2-(2-methylprop-1-enoxy)ethyl]oxetane (PubChem CID 150729058) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 3-[2-(2-methylprop-1-enoxy)ethyl]oxetane.

Molecular Properties

Compound Name3-[2-(2-methylprop-1-enoxy)ethyl]oxetane
PubChem CID150729058
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name3-[2-(2-methylprop-1-enoxy)ethyl]oxetane
SMILESCC(C)=COCCC1COC1
InChIInChI=1S/C9H16O2/c1-8(2)5-10-4-3-9-6-11-7-9/h5,9H,3-4,6-7H2,1-2H3
InChIKeyJRLJVANPLSRBHM-UHFFFAOYSA-N
XLogP1.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,2,4-Trifluoro-3-[2-(2-methylprop-1-enoxy)ethyl]oxetane
CID 149981067
2,2-Difluoro-3-[2-(2-methylprop-1-enoxy)ethyl]oxetane
CID 150317427
(2S)-2-methyl-1-(2-methylprop-1-enoxy)butane
CID 101919239
3-Methyl-1-(2-methylprop-1-enoxy)butane
CID 15419788
3-Ethyl-3-(2-methylprop-1-enoxymethyl)oxetane
CID 85666305
1,4-Bis(2-methylprop-1-enoxy)butane
CID 87658336
2-Methyl-1,4-bis(2-methylprop-1-enoxy)butane
CID 87658648
3-(2-Prop-1-enoxyethyl)oxetane
CID 151635045
3-Methyl-3-[2-(2-methylprop-1-enoxy)ethyl]oxetane
CID 152097728
3-[1-(2-Methylprop-1-enoxy)ethyl]oxetane
CID 176603608
3-[2-[(E)-prop-1-enoxy]ethyl]oxetane
CID 176605240
(2R)-2-methyl-1-(2-methylprop-1-enoxy)butane
CID 101919240

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methylprop-1-enoxy)ethyl]oxetane?
The IUPAC name of 3-[2-(2-methylprop-1-enoxy)ethyl]oxetane (CID 150729058) is 3-[2-(2-methylprop-1-enoxy)ethyl]oxetane.
What is the SMILES notation for 3-[2-(2-methylprop-1-enoxy)ethyl]oxetane?
The canonical SMILES for 3-[2-(2-methylprop-1-enoxy)ethyl]oxetane is CC(C)=COCCC1COC1.
What is the InChIKey of 3-[2-(2-methylprop-1-enoxy)ethyl]oxetane?
The InChIKey is JRLJVANPLSRBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-8(2)5-10-4-3-9-6-11-7-9/h5,9H,3-4,6-7H2,1-2H3.
What are the key properties of 3-[2-(2-methylprop-1-enoxy)ethyl]oxetane?
3-[2-(2-methylprop-1-enoxy)ethyl]oxetane has a molecular weight of 156.22 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methylprop-1-enoxy)ethyl]oxetane is sourced from PubChem (CID 150729058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).