3-ethyl-2-methyl-3-prop-1-enoxyoxetane

C9H16O2 — CID 150850833

IUPAC3-ethyl-2-methyl-3-prop-1-enoxyoxetane
SMILESCC=COC1(CC)COC1C
InChIInChI=1S/C9H16O2/c1-4-6-11-9(5-2)7-10-8(9)3/h4,6,8H,5,7H2,1-3H3
InChIKeyKPZMJYLFEYSLOQ-UHFFFAOYSA-N
MW156.22 g/mol
LogP2.10
Rot. Bonds3

About 3-ethyl-2-methyl-3-prop-1-enoxyoxetane

3-ethyl-2-methyl-3-prop-1-enoxyoxetane (PubChem CID 150850833) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 3-ethyl-2-methyl-3-prop-1-enoxyoxetane.

Molecular Properties

Compound Name3-ethyl-2-methyl-3-prop-1-enoxyoxetane
PubChem CID150850833
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name3-ethyl-2-methyl-3-prop-1-enoxyoxetane
SMILESCC=COC1(CC)COC1C
InChIInChI=1S/C9H16O2/c1-4-6-11-9(5-2)7-10-8(9)3/h4,6,8H,5,7H2,1-3H3
InChIKeyKPZMJYLFEYSLOQ-UHFFFAOYSA-N
XLogP2.10
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 52.10
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

3-Ethyl-2-methyl-3-prop-2-enoxyoxetane
CID 68486284
2-Ethyl-2-(prop-1-en-2-yloxymethyl)oxetane
CID 140206350
2-(But-1-enoxymethyl)-3-ethyloxetane
CID 141062648
2-(But-1-enoxymethyl)-2-methyloxetane
CID 141069763
1-Methyl-1-(2-prop-1-enoxyethoxy)cyclobutane
CID 150318855
2-Ethyl-2-(prop-1-enoxymethyl)oxetane
CID 150494808
2-Ethyl-2-(2-methylprop-1-enoxymethyl)oxetane
CID 150500392
2,3-Diethyl-3-prop-1-enoxyoxetane
CID 150976779
1-Ethyl-1-(2-prop-1-enoxyethoxy)cyclobutane
CID 151171253
3-Ethyl-2-(methoxymethyl)oxetane;prop-1-ene
CID 162262565
1-Ethoxy-1-(prop-1-enoxymethyl)cyclobutane
CID 177730168

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methyl-3-prop-1-enoxyoxetane?
The IUPAC name of 3-ethyl-2-methyl-3-prop-1-enoxyoxetane (CID 150850833) is 3-ethyl-2-methyl-3-prop-1-enoxyoxetane.
What is the SMILES notation for 3-ethyl-2-methyl-3-prop-1-enoxyoxetane?
The canonical SMILES for 3-ethyl-2-methyl-3-prop-1-enoxyoxetane is CC=COC1(CC)COC1C.
What is the InChIKey of 3-ethyl-2-methyl-3-prop-1-enoxyoxetane?
The InChIKey is KPZMJYLFEYSLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-4-6-11-9(5-2)7-10-8(9)3/h4,6,8H,5,7H2,1-3H3.
What are the key properties of 3-ethyl-2-methyl-3-prop-1-enoxyoxetane?
3-ethyl-2-methyl-3-prop-1-enoxyoxetane has a molecular weight of 156.22 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methyl-3-prop-1-enoxyoxetane is sourced from PubChem (CID 150850833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).