ethoxycyclobutadiene

C6H8O — CID 12724587

IUPACethoxycyclobutadiene
SMILESCCOC1=CC=C1
InChIInChI=1S/C6H8O/c1-2-7-6-4-3-5-6/h3-5H,2H2,1H3
InChIKeyLLNDMMGYLLSKQM-UHFFFAOYSA-N
MW96.13 g/mol
LogP1.48
Rot. Bonds2

About ethoxycyclobutadiene

ethoxycyclobutadiene (PubChem CID 12724587) has the molecular formula C6H8O and a molecular weight of 96.13 g/mol. Its IUPAC name is ethoxycyclobutadiene.

Molecular Properties

Compound Nameethoxycyclobutadiene
PubChem CID12724587
Molecular FormulaC6H8O
Molecular Weight96.13 g/mol
Exact Mass96.06
IUPAC Nameethoxycyclobutadiene
SMILESCCOC1=CC=C1
InChIInChI=1S/C6H8O/c1-2-7-6-4-3-5-6/h3-5H,2H2,1H3
InChIKeyLLNDMMGYLLSKQM-UHFFFAOYSA-N
XLogP1.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.13
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethoxycyclobutadiene?
The IUPAC name of ethoxycyclobutadiene (CID 12724587) is ethoxycyclobutadiene.
What is the SMILES notation for ethoxycyclobutadiene?
The canonical SMILES for ethoxycyclobutadiene is CCOC1=CC=C1.
What is the InChIKey of ethoxycyclobutadiene?
The InChIKey is LLNDMMGYLLSKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O/c1-2-7-6-4-3-5-6/h3-5H,2H2,1H3.
What are the key properties of ethoxycyclobutadiene?
ethoxycyclobutadiene has a molecular weight of 96.13 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxycyclobutadiene is sourced from PubChem (CID 12724587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).