2-(3-methylbut-1-enoxymethyl)oxetane

C9H16O2 — CID 150746966

IUPAC2-(3-methylbut-1-enoxymethyl)oxetane
SMILESCC(C)C=COCC1CCO1
InChIInChI=1S/C9H16O2/c1-8(2)3-5-10-7-9-4-6-11-9/h3,5,8-9H,4,6-7H2,1-2H3
InChIKeyJVBBGKNNFORDMI-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.96
Rot. Bonds4

About 2-(3-methylbut-1-enoxymethyl)oxetane

2-(3-methylbut-1-enoxymethyl)oxetane (PubChem CID 150746966) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 2-(3-methylbut-1-enoxymethyl)oxetane.

Molecular Properties

Compound Name2-(3-methylbut-1-enoxymethyl)oxetane
PubChem CID150746966
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name2-(3-methylbut-1-enoxymethyl)oxetane
SMILESCC(C)C=COCC1CCO1
InChIInChI=1S/C9H16O2/c1-8(2)3-5-10-7-9-4-6-11-9/h3,5,8-9H,4,6-7H2,1-2H3
InChIKeyJVBBGKNNFORDMI-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'}

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Related Compounds

2-(But-1-enoxymethyl)oxetane
CID 141062645
2-(But-1-enoxymethyl)-3-ethyloxetane
CID 141062648
2-(But-1-enoxymethyl)-2-methyloxetane
CID 141069763
2-(3-Methylbut-1-enoxy)ethoxycyclobutane
CID 149681701
2-(3-Methylpent-1-enoxy)ethoxycyclobutane
CID 151569608
2-Butoxy-1-(3-methylbut-1-enoxy)pentane
CID 151664480
2-(3-Methylpent-1-enoxymethyl)oxetane
CID 152405301
2-Methyl-3-(3-methylbut-1-enoxymethyl)oxirane
CID 158616685
2-(Methoxymethyl)oxetane;3-methylbut-1-ene
CID 161601801
2-(Methoxymethyl)oxetane;3-methylpent-1-ene
CID 162074193

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbut-1-enoxymethyl)oxetane?
The IUPAC name of 2-(3-methylbut-1-enoxymethyl)oxetane (CID 150746966) is 2-(3-methylbut-1-enoxymethyl)oxetane.
What is the SMILES notation for 2-(3-methylbut-1-enoxymethyl)oxetane?
The canonical SMILES for 2-(3-methylbut-1-enoxymethyl)oxetane is CC(C)C=COCC1CCO1.
What is the InChIKey of 2-(3-methylbut-1-enoxymethyl)oxetane?
The InChIKey is JVBBGKNNFORDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-8(2)3-5-10-7-9-4-6-11-9/h3,5,8-9H,4,6-7H2,1-2H3.
What are the key properties of 2-(3-methylbut-1-enoxymethyl)oxetane?
2-(3-methylbut-1-enoxymethyl)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 2-(3-methylbut-1-enoxymethyl)oxetane is sourced from PubChem (CID 150746966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).