3-ethenoxy-3-methylcyclobutene

C7H10O — CID 174767640

IUPAC3-ethenoxy-3-methylcyclobutene
SMILESC=COC1(C)C=CC1
InChIInChI=1S/C7H10O/c1-3-8-7(2)5-4-6-7/h3-5H,1,6H2,2H3
InChIKeyFBRJJZAJICGLFC-UHFFFAOYSA-N
MW110.16 g/mol
LogP1.87
Rot. Bonds2

About 3-ethenoxy-3-methylcyclobutene

3-ethenoxy-3-methylcyclobutene (PubChem CID 174767640) has the molecular formula C7H10O and a molecular weight of 110.16 g/mol. Its IUPAC name is 3-ethenoxy-3-methylcyclobutene.

Molecular Properties

Compound Name3-ethenoxy-3-methylcyclobutene
PubChem CID174767640
Molecular FormulaC7H10O
Molecular Weight110.16 g/mol
Exact Mass110.07
IUPAC Name3-ethenoxy-3-methylcyclobutene
SMILESC=COC1(C)C=CC1
InChIInChI=1S/C7H10O/c1-3-8-7(2)5-4-6-7/h3-5H,1,6H2,2H3
InChIKeyFBRJJZAJICGLFC-UHFFFAOYSA-N
XLogP1.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethenoxy-3-methylcyclobutene?
The IUPAC name of 3-ethenoxy-3-methylcyclobutene (CID 174767640) is 3-ethenoxy-3-methylcyclobutene.
What is the SMILES notation for 3-ethenoxy-3-methylcyclobutene?
The canonical SMILES for 3-ethenoxy-3-methylcyclobutene is C=COC1(C)C=CC1.
What is the InChIKey of 3-ethenoxy-3-methylcyclobutene?
The InChIKey is FBRJJZAJICGLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O/c1-3-8-7(2)5-4-6-7/h3-5H,1,6H2,2H3.
What are the key properties of 3-ethenoxy-3-methylcyclobutene?
3-ethenoxy-3-methylcyclobutene has a molecular weight of 110.16 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenoxy-3-methylcyclobutene is sourced from PubChem (CID 174767640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).