ethyl 1-formyloxycyclobutane-1-carboxylate

C8H12O4 — CID 57226998

IUPACethyl 1-formyloxycyclobutane-1-carboxylate
SMILESCCOC(=O)C1(OC=O)CCC1
InChIInChI=1S/C8H12O4/c1-2-11-7(10)8(12-6-9)4-3-5-8/h6H,2-5H2,1H3
InChIKeyHLIMSSKYEVDHTG-UHFFFAOYSA-N
MW172.18 g/mol
LogP0.65
Rot. Bonds4

About ethyl 1-formyloxycyclobutane-1-carboxylate

ethyl 1-formyloxycyclobutane-1-carboxylate (PubChem CID 57226998) has the molecular formula C8H12O4 and a molecular weight of 172.18 g/mol. Its IUPAC name is ethyl 1-formyloxycyclobutane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-formyloxycyclobutane-1-carboxylate
PubChem CID57226998
Molecular FormulaC8H12O4
Molecular Weight172.18 g/mol
Exact Mass172.07
IUPAC Nameethyl 1-formyloxycyclobutane-1-carboxylate
SMILESCCOC(=O)C1(OC=O)CCC1
InChIInChI=1S/C8H12O4/c1-2-11-7(10)8(12-6-9)4-3-5-8/h6H,2-5H2,1H3
InChIKeyHLIMSSKYEVDHTG-UHFFFAOYSA-N
XLogP0.65
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-formyloxycyclobutane-1-carboxylate?
The IUPAC name of ethyl 1-formyloxycyclobutane-1-carboxylate (CID 57226998) is ethyl 1-formyloxycyclobutane-1-carboxylate.
What is the SMILES notation for ethyl 1-formyloxycyclobutane-1-carboxylate?
The canonical SMILES for ethyl 1-formyloxycyclobutane-1-carboxylate is CCOC(=O)C1(OC=O)CCC1.
What is the InChIKey of ethyl 1-formyloxycyclobutane-1-carboxylate?
The InChIKey is HLIMSSKYEVDHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O4/c1-2-11-7(10)8(12-6-9)4-3-5-8/h6H,2-5H2,1H3.
What are the key properties of ethyl 1-formyloxycyclobutane-1-carboxylate?
ethyl 1-formyloxycyclobutane-1-carboxylate has a molecular weight of 172.18 g/mol, XLogP of 0.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-formyloxycyclobutane-1-carboxylate is sourced from PubChem (CID 57226998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).