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

C9H16O2 — CID 176603608

IUPAC3-[1-(2-methylprop-1-enoxy)ethyl]oxetane
SMILESCC(C)=COC(C)C1COC1
InChIInChI=1S/C9H16O2/c1-7(2)4-11-8(3)9-5-10-6-9/h4,8-9H,5-6H2,1-3H3
InChIKeyUTXBPOZUVNDUTN-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.96
Rot. Bonds3

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

3-[1-(2-methylprop-1-enoxy)ethyl]oxetane (PubChem CID 176603608) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 3-[1-(2-methylprop-1-enoxy)ethyl]oxetane.

Molecular Properties

Compound Name3-[1-(2-methylprop-1-enoxy)ethyl]oxetane
PubChem CID176603608
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name3-[1-(2-methylprop-1-enoxy)ethyl]oxetane
SMILESCC(C)=COC(C)C1COC1
InChIInChI=1S/C9H16O2/c1-7(2)4-11-8(3)9-5-10-6-9/h4,8-9H,5-6H2,1-3H3
InChIKeyUTXBPOZUVNDUTN-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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Related Compounds

3-Ethyl-3-(2-methylprop-1-enoxymethyl)oxetane
CID 85666305
1,3-Bis(2-methylprop-1-enoxy)butane
CID 87658980
2,3-Dimethyl-3-(2-methylprop-1-enoxy)-1-propan-2-yloxybutane
CID 89233906
2-[1-(2-Methylprop-1-enoxy)propan-2-yl]oxirane
CID 149723118
3-Methyl-2-[2-(2-methylprop-1-enoxy)ethyl]oxetane
CID 150247617
2-Methyl-3-(prop-1-enoxymethyl)oxetane
CID 150708331
3-[2-(2-Methylprop-1-enoxy)ethyl]oxetane
CID 150729058
3-[1-(Cyclopentylidenemethoxy)ethyl]oxetane
CID 176602994
3-(2-Methylprop-1-enoxymethyl)oxetane
CID 176603143
3-[1-[(E)-prop-1-enoxy]ethyl]oxetane
CID 176605159

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-methylprop-1-enoxy)ethyl]oxetane?
The IUPAC name of 3-[1-(2-methylprop-1-enoxy)ethyl]oxetane (CID 176603608) is 3-[1-(2-methylprop-1-enoxy)ethyl]oxetane.
What is the SMILES notation for 3-[1-(2-methylprop-1-enoxy)ethyl]oxetane?
The canonical SMILES for 3-[1-(2-methylprop-1-enoxy)ethyl]oxetane is CC(C)=COC(C)C1COC1.
What is the InChIKey of 3-[1-(2-methylprop-1-enoxy)ethyl]oxetane?
The InChIKey is UTXBPOZUVNDUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-7(2)4-11-8(3)9-5-10-6-9/h4,8-9H,5-6H2,1-3H3.
What are the key properties of 3-[1-(2-methylprop-1-enoxy)ethyl]oxetane?
3-[1-(2-methylprop-1-enoxy)ethyl]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-[1-(2-methylprop-1-enoxy)ethyl]oxetane is sourced from PubChem (CID 176603608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).