1-(ethenoxymethyl)-1-ethoxycyclobutane

C9H16O2 — CID 150690368

IUPAC1-(ethenoxymethyl)-1-ethoxycyclobutane
SMILESC=COCC1(OCC)CCC1
InChIInChI=1S/C9H16O2/c1-3-10-8-9(11-4-2)6-5-7-9/h3H,1,4-8H2,2H3
InChIKeyJJTCZMLVKTYSCJ-UHFFFAOYSA-N
MW156.22 g/mol
LogP2.11
Rot. Bonds5

About 1-(ethenoxymethyl)-1-ethoxycyclobutane

1-(ethenoxymethyl)-1-ethoxycyclobutane (PubChem CID 150690368) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 1-(ethenoxymethyl)-1-ethoxycyclobutane.

Molecular Properties

Compound Name1-(ethenoxymethyl)-1-ethoxycyclobutane
PubChem CID150690368
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name1-(ethenoxymethyl)-1-ethoxycyclobutane
SMILESC=COCC1(OCC)CCC1
InChIInChI=1S/C9H16O2/c1-3-10-8-9(11-4-2)6-5-7-9/h3H,1,4-8H2,2H3
InChIKeyJJTCZMLVKTYSCJ-UHFFFAOYSA-N
XLogP2.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 52.11
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-(6-Ethenoxyhexoxy)-3-ethyloxetane
CID 58689609
1-(2-Methoxyethoxy)-1-methylcyclobutane
CID 58894072
2-(Ethenoxymethyl)-2-ethyloxetane
CID 89158012
1-Methyl-1-(2-prop-1-enoxyethoxy)cyclobutane
CID 150318855
2-(2-Ethenoxyethoxy)-2-methylbutane
CID 164755038
1-Ethoxy-1-(prop-1-enoxymethyl)cyclobutane
CID 177730168
1,2-Bis(ethenoxy)-2-methylbutane
CID 160128279

Frequently Asked Questions

What is the IUPAC name of 1-(ethenoxymethyl)-1-ethoxycyclobutane?
The IUPAC name of 1-(ethenoxymethyl)-1-ethoxycyclobutane (CID 150690368) is 1-(ethenoxymethyl)-1-ethoxycyclobutane.
What is the SMILES notation for 1-(ethenoxymethyl)-1-ethoxycyclobutane?
The canonical SMILES for 1-(ethenoxymethyl)-1-ethoxycyclobutane is C=COCC1(OCC)CCC1.
What is the InChIKey of 1-(ethenoxymethyl)-1-ethoxycyclobutane?
The InChIKey is JJTCZMLVKTYSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-3-10-8-9(11-4-2)6-5-7-9/h3H,1,4-8H2,2H3.
What are the key properties of 1-(ethenoxymethyl)-1-ethoxycyclobutane?
1-(ethenoxymethyl)-1-ethoxycyclobutane has a molecular weight of 156.22 g/mol, XLogP of 2.11, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethenoxymethyl)-1-ethoxycyclobutane is sourced from PubChem (CID 150690368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).