tert-butyl 1-formyloxycyclobutane-1-carboxylate

C10H16O4 — CID 87721506

IUPACtert-butyl 1-formyloxycyclobutane-1-carboxylate
SMILESCC(C)(C)OC(=O)C1(OC=O)CCC1
InChIInChI=1S/C10H16O4/c1-9(2,3)14-8(12)10(13-7-11)5-4-6-10/h7H,4-6H2,1-3H3
InChIKeyYONGMMNMIUXBSI-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.42
Rot. Bonds3

About tert-butyl 1-formyloxycyclobutane-1-carboxylate

tert-butyl 1-formyloxycyclobutane-1-carboxylate (PubChem CID 87721506) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is tert-butyl 1-formyloxycyclobutane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-formyloxycyclobutane-1-carboxylate
PubChem CID87721506
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Nametert-butyl 1-formyloxycyclobutane-1-carboxylate
SMILESCC(C)(C)OC(=O)C1(OC=O)CCC1
InChIInChI=1S/C10H16O4/c1-9(2,3)14-8(12)10(13-7-11)5-4-6-10/h7H,4-6H2,1-3H3
InChIKeyYONGMMNMIUXBSI-UHFFFAOYSA-N
XLogP1.42
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.42
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 tert-butyl 1-formyloxycyclobutane-1-carboxylate?
The IUPAC name of tert-butyl 1-formyloxycyclobutane-1-carboxylate (CID 87721506) is tert-butyl 1-formyloxycyclobutane-1-carboxylate.
What is the SMILES notation for tert-butyl 1-formyloxycyclobutane-1-carboxylate?
The canonical SMILES for tert-butyl 1-formyloxycyclobutane-1-carboxylate is CC(C)(C)OC(=O)C1(OC=O)CCC1.
What is the InChIKey of tert-butyl 1-formyloxycyclobutane-1-carboxylate?
The InChIKey is YONGMMNMIUXBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-9(2,3)14-8(12)10(13-7-11)5-4-6-10/h7H,4-6H2,1-3H3.
What are the key properties of tert-butyl 1-formyloxycyclobutane-1-carboxylate?
tert-butyl 1-formyloxycyclobutane-1-carboxylate has a molecular weight of 200.23 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-formyloxycyclobutane-1-carboxylate is sourced from PubChem (CID 87721506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).