2-(but-1-enoxymethyl)-2-methyloxetane

C9H16O2 — CID 141069763

IUPAC2-(but-1-enoxymethyl)-2-methyloxetane
SMILESCCC=COCC1(C)CCO1
InChIInChI=1S/C9H16O2/c1-3-4-6-10-8-9(2)5-7-11-9/h4,6H,3,5,7-8H2,1-2H3
InChIKeyAOQSKVGYPOTPFC-UHFFFAOYSA-N
MW156.22 g/mol
LogP2.11
Rot. Bonds4

About 2-(but-1-enoxymethyl)-2-methyloxetane

2-(but-1-enoxymethyl)-2-methyloxetane (PubChem CID 141069763) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 2-(but-1-enoxymethyl)-2-methyloxetane.

Molecular Properties

Compound Name2-(but-1-enoxymethyl)-2-methyloxetane
PubChem CID141069763
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name2-(but-1-enoxymethyl)-2-methyloxetane
SMILESCCC=COCC1(C)CCO1
InChIInChI=1S/C9H16O2/c1-3-4-6-10-8-9(2)5-7-11-9/h4,6H,3,5,7-8H2,1-2H3
InChIKeyAOQSKVGYPOTPFC-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(but-1-enoxymethyl)-2-methyloxetane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Ethyl-3-allylmethoxy oxetane
CID 118482955
3-Methyl-3-pent-4-enoxyoxetane
CID 118482951
3-Ethyl-3-(3-methylpent-4-enoxy)oxetane
CID 118482967
3-Ethyl-3-pent-4-enoxyoxetane
CID 118482971
3-Methyl-3-(3-methylpent-4-enoxy)oxetane
CID 118482991
2-(But-1-enoxymethyl)oxetane
CID 141062645
2-(But-1-enoxymethyl)-3-ethyloxetane
CID 141062648
1-Methyl-1-(2-prop-1-enoxyethoxy)cyclobutane
CID 150318855
2-Ethyl-2-(prop-1-enoxymethyl)oxetane
CID 150494808
2-(3-Methylbut-1-enoxymethyl)oxetane
CID 150746966
3-Ethyl-2-methyl-3-prop-1-enoxyoxetane
CID 150850833
2-(3-Methylpent-1-enoxymethyl)oxetane
CID 152405301

Frequently Asked Questions

What is the IUPAC name of 2-(but-1-enoxymethyl)-2-methyloxetane?
The IUPAC name of 2-(but-1-enoxymethyl)-2-methyloxetane (CID 141069763) is 2-(but-1-enoxymethyl)-2-methyloxetane.
What is the SMILES notation for 2-(but-1-enoxymethyl)-2-methyloxetane?
The canonical SMILES for 2-(but-1-enoxymethyl)-2-methyloxetane is CCC=COCC1(C)CCO1.
What is the InChIKey of 2-(but-1-enoxymethyl)-2-methyloxetane?
The InChIKey is AOQSKVGYPOTPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-3-4-6-10-8-9(2)5-7-11-9/h4,6H,3,5,7-8H2,1-2H3.
What are the key properties of 2-(but-1-enoxymethyl)-2-methyloxetane?
2-(but-1-enoxymethyl)-2-methyloxetane has a molecular weight of 156.22 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(but-1-enoxymethyl)-2-methyloxetane is sourced from PubChem (CID 141069763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).