3-ethyl-2-(methoxymethyl)oxetane;prop-1-ene

C10H20O2 — CID 162262565

IUPAC3-ethyl-2-(methoxymethyl)oxetane;prop-1-ene
SMILESC=CC.CCC1COC1COC
InChIInChI=1S/C7H14O2.C3H6/c1-3-6-4-9-7(6)5-8-2;1-3-2/h6-7H,3-5H2,1-2H3;3H,1H2,2H3
InChIKeyZZLJJJBWMYVYLT-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.25
Rot. Bonds3

About 3-ethyl-2-(methoxymethyl)oxetane;prop-1-ene

3-ethyl-2-(methoxymethyl)oxetane;prop-1-ene (PubChem CID 162262565) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 3-ethyl-2-(methoxymethyl)oxetane;prop-1-ene.

Molecular Properties

Compound Name3-ethyl-2-(methoxymethyl)oxetane;prop-1-ene
PubChem CID162262565
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name3-ethyl-2-(methoxymethyl)oxetane;prop-1-ene
SMILESC=CC.CCC1COC1COC
InChIInChI=1S/C7H14O2.C3H6/c1-3-6-4-9-7(6)5-8-2;1-3-2/h6-7H,3-5H2,1-2H3;3H,1H2,2H3
InChIKeyZZLJJJBWMYVYLT-UHFFFAOYSA-N
XLogP2.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-Ethyl-2-(prop-2-enoxymethyl)oxetane
CID 19376854
3-Ethyl-2-(2-methylprop-2-enoxymethyl)oxetane
CID 22160824
2-(But-2-enoxymethyl)-3-ethyloxetane
CID 66690360
2-Ethyl-2-(prop-1-en-2-yloxymethyl)oxetane
CID 140206350
2-(But-1-enoxymethyl)-3-ethyloxetane
CID 141062648
3-Ethyl-3-methyl-2-(prop-2-enoxymethyl)oxetane
CID 141251202
2-(Ethenoxymethyl)-3-ethyloxetane
CID 141483508
2-Ethyl-2-(prop-1-enoxymethyl)oxetane
CID 150494808
3-Ethyl-2-methyl-3-prop-1-enoxyoxetane
CID 150850833
2-(Methoxymethyl)oxetane;3-methylbut-1-ene
CID 161601801
1-Ethoxy-3-(methoxymethyl)cyclobutane;prop-1-ene
CID 161807878
2-(Methoxymethyl)oxetane;3-methylpent-1-ene
CID 162074193

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(methoxymethyl)oxetane;prop-1-ene?
The IUPAC name of 3-ethyl-2-(methoxymethyl)oxetane;prop-1-ene (CID 162262565) is 3-ethyl-2-(methoxymethyl)oxetane;prop-1-ene.
What is the SMILES notation for 3-ethyl-2-(methoxymethyl)oxetane;prop-1-ene?
The canonical SMILES for 3-ethyl-2-(methoxymethyl)oxetane;prop-1-ene is C=CC.CCC1COC1COC.
What is the InChIKey of 3-ethyl-2-(methoxymethyl)oxetane;prop-1-ene?
The InChIKey is ZZLJJJBWMYVYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2.C3H6/c1-3-6-4-9-7(6)5-8-2;1-3-2/h6-7H,3-5H2,1-2H3;3H,1H2,2H3.
What are the key properties of 3-ethyl-2-(methoxymethyl)oxetane;prop-1-ene?
3-ethyl-2-(methoxymethyl)oxetane;prop-1-ene has a molecular weight of 172.27 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(methoxymethyl)oxetane;prop-1-ene is sourced from PubChem (CID 162262565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).