2-(but-1-enoxymethyl)-3-ethyloxetane

C10H18O2 — CID 141062648

IUPAC2-(but-1-enoxymethyl)-3-ethyloxetane
SMILESCCC=COCC1OCC1CC
InChIInChI=1S/C10H18O2/c1-3-5-6-11-8-10-9(4-2)7-12-10/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKeyKIANESVDQDPCOV-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.35
Rot. Bonds5

About 2-(but-1-enoxymethyl)-3-ethyloxetane

2-(but-1-enoxymethyl)-3-ethyloxetane (PubChem CID 141062648) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-(but-1-enoxymethyl)-3-ethyloxetane.

Molecular Properties

Compound Name2-(but-1-enoxymethyl)-3-ethyloxetane
PubChem CID141062648
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2-(but-1-enoxymethyl)-3-ethyloxetane
SMILESCCC=COCC1OCC1CC
InChIInChI=1S/C10H18O2/c1-3-5-6-11-8-10-9(4-2)7-12-10/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKeyKIANESVDQDPCOV-UHFFFAOYSA-N
XLogP2.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.35
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-(Oxiran-2-ylmethoxymethyl)-3-prop-2-enyloxetane
CID 88161917
2-(But-1-enoxymethyl)-2-methyloxetane
CID 141069763
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-Butoxy-1-(3-methylbut-1-enoxy)pentane
CID 151664480
2-(3-Methylpent-1-enoxymethyl)oxetane
CID 152405301
2-(Methoxymethyl)oxetane;3-methylbut-1-ene
CID 161601801
2-(Methoxymethyl)oxetane;3-methylpent-1-ene
CID 162074193
3-Ethyl-2-(methoxymethyl)oxetane;prop-1-ene
CID 162262565

Frequently Asked Questions

What is the IUPAC name of 2-(but-1-enoxymethyl)-3-ethyloxetane?
The IUPAC name of 2-(but-1-enoxymethyl)-3-ethyloxetane (CID 141062648) is 2-(but-1-enoxymethyl)-3-ethyloxetane.
What is the SMILES notation for 2-(but-1-enoxymethyl)-3-ethyloxetane?
The canonical SMILES for 2-(but-1-enoxymethyl)-3-ethyloxetane is CCC=COCC1OCC1CC.
What is the InChIKey of 2-(but-1-enoxymethyl)-3-ethyloxetane?
The InChIKey is KIANESVDQDPCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-3-5-6-11-8-10-9(4-2)7-12-10/h5-6,9-10H,3-4,7-8H2,1-2H3.
What are the key properties of 2-(but-1-enoxymethyl)-3-ethyloxetane?
2-(but-1-enoxymethyl)-3-ethyloxetane has a molecular weight of 170.25 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(but-1-enoxymethyl)-3-ethyloxetane is sourced from PubChem (CID 141062648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).