2-(but-1-enoxymethyl)oxetane

C8H14O2 — CID 141062645

IUPAC2-(but-1-enoxymethyl)oxetane
SMILESCCC=COCC1CCO1
InChIInChI=1S/C8H14O2/c1-2-3-5-9-7-8-4-6-10-8/h3,5,8H,2,4,6-7H2,1H3
InChIKeyWRXUDTWIWKJXGI-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.72
Rot. Bonds4

About 2-(but-1-enoxymethyl)oxetane

2-(but-1-enoxymethyl)oxetane (PubChem CID 141062645) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 2-(but-1-enoxymethyl)oxetane.

Molecular Properties

Compound Name2-(but-1-enoxymethyl)oxetane
PubChem CID141062645
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name2-(but-1-enoxymethyl)oxetane
SMILESCCC=COCC1CCO1
InChIInChI=1S/C8H14O2/c1-2-3-5-9-7-8-4-6-10-8/h3,5,8H,2,4,6-7H2,1H3
InChIKeyWRXUDTWIWKJXGI-UHFFFAOYSA-N
XLogP1.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.72
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

(Ethyleneoxy)methyl-(-undecenyl-)ether
CID 129717187
3-Pent-1-enoxyoxetane
CID 70631309
3-But-1-enoxyoxetane
CID 70631552
2-(Prop-1-enoxymethyl)oxetane
CID 141062649
2-(But-1-enoxymethyl)-2-methyloxetane
CID 141069763
2-(3-Methylbut-1-enoxy)ethoxycyclobutane
CID 149681701
2-(3-Methylbut-1-enoxymethyl)oxetane
CID 150746966
2-(3-Methylpent-1-enoxymethyl)oxetane
CID 152405301
2-(Methoxymethyl)oxetane;prop-1-ene
CID 157069363
2-(Methoxymethyl)oxetane;3-methylbut-1-ene
CID 161601801

Frequently Asked Questions

What is the IUPAC name of 2-(but-1-enoxymethyl)oxetane?
The IUPAC name of 2-(but-1-enoxymethyl)oxetane (CID 141062645) is 2-(but-1-enoxymethyl)oxetane.
What is the SMILES notation for 2-(but-1-enoxymethyl)oxetane?
The canonical SMILES for 2-(but-1-enoxymethyl)oxetane is CCC=COCC1CCO1.
What is the InChIKey of 2-(but-1-enoxymethyl)oxetane?
The InChIKey is WRXUDTWIWKJXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-2-3-5-9-7-8-4-6-10-8/h3,5,8H,2,4,6-7H2,1H3.
What are the key properties of 2-(but-1-enoxymethyl)oxetane?
2-(but-1-enoxymethyl)oxetane has a molecular weight of 142.20 g/mol, XLogP of 1.72, 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)oxetane is sourced from PubChem (CID 141062645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).