ethyl 4,4-diethoxycyclobutene-1-carboxylate

C11H18O4 — CID 10608664

IUPACethyl 4,4-diethoxycyclobutene-1-carboxylate
SMILESCCOC(=O)C1=CCC1(OCC)OCC
InChIInChI=1S/C11H18O4/c1-4-13-10(12)9-7-8-11(9,14-5-2)15-6-3/h7H,4-6,8H2,1-3H3
InChIKeyQPBSDWMRWFJUGD-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.65
Rot. Bonds6

About ethyl 4,4-diethoxycyclobutene-1-carboxylate

ethyl 4,4-diethoxycyclobutene-1-carboxylate (PubChem CID 10608664) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is ethyl 4,4-diethoxycyclobutene-1-carboxylate.

Molecular Properties

Compound Nameethyl 4,4-diethoxycyclobutene-1-carboxylate
PubChem CID10608664
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Nameethyl 4,4-diethoxycyclobutene-1-carboxylate
SMILESCCOC(=O)C1=CCC1(OCC)OCC
InChIInChI=1S/C11H18O4/c1-4-13-10(12)9-7-8-11(9,14-5-2)15-6-3/h7H,4-6,8H2,1-3H3
InChIKeyQPBSDWMRWFJUGD-UHFFFAOYSA-N
XLogP1.65
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 4,4-diethoxycyclobutene-1-carboxylate?
The IUPAC name of ethyl 4,4-diethoxycyclobutene-1-carboxylate (CID 10608664) is ethyl 4,4-diethoxycyclobutene-1-carboxylate.
What is the SMILES notation for ethyl 4,4-diethoxycyclobutene-1-carboxylate?
The canonical SMILES for ethyl 4,4-diethoxycyclobutene-1-carboxylate is CCOC(=O)C1=CCC1(OCC)OCC.
What is the InChIKey of ethyl 4,4-diethoxycyclobutene-1-carboxylate?
The InChIKey is QPBSDWMRWFJUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4/c1-4-13-10(12)9-7-8-11(9,14-5-2)15-6-3/h7H,4-6,8H2,1-3H3.
What are the key properties of ethyl 4,4-diethoxycyclobutene-1-carboxylate?
ethyl 4,4-diethoxycyclobutene-1-carboxylate has a molecular weight of 214.26 g/mol, XLogP of 1.65, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4,4-diethoxycyclobutene-1-carboxylate is sourced from PubChem (CID 10608664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).