cyclopentyl 1-formyloxycyclobutane-1-carboxylate

C11H16O4 — CID 90746648

IUPACcyclopentyl 1-formyloxycyclobutane-1-carboxylate
SMILESO=COC1(C(=O)OC2CCCC2)CCC1
InChIInChI=1S/C11H16O4/c12-8-14-11(6-3-7-11)10(13)15-9-4-1-2-5-9/h8-9H,1-7H2
InChIKeyIUNAWOQNGBWAFM-UHFFFAOYSA-N
MW212.24 g/mol
LogP1.57
Rot. Bonds4

About cyclopentyl 1-formyloxycyclobutane-1-carboxylate

cyclopentyl 1-formyloxycyclobutane-1-carboxylate (PubChem CID 90746648) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is cyclopentyl 1-formyloxycyclobutane-1-carboxylate.

Molecular Properties

Compound Namecyclopentyl 1-formyloxycyclobutane-1-carboxylate
PubChem CID90746648
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Namecyclopentyl 1-formyloxycyclobutane-1-carboxylate
SMILESO=COC1(C(=O)OC2CCCC2)CCC1
InChIInChI=1S/C11H16O4/c12-8-14-11(6-3-7-11)10(13)15-9-4-1-2-5-9/h8-9H,1-7H2
InChIKeyIUNAWOQNGBWAFM-UHFFFAOYSA-N
XLogP1.57
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze cyclopentyl 1-formyloxycyclobutane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclopentyl 1-formyloxycyclobutane-1-carboxylate?
The IUPAC name of cyclopentyl 1-formyloxycyclobutane-1-carboxylate (CID 90746648) is cyclopentyl 1-formyloxycyclobutane-1-carboxylate.
What is the SMILES notation for cyclopentyl 1-formyloxycyclobutane-1-carboxylate?
The canonical SMILES for cyclopentyl 1-formyloxycyclobutane-1-carboxylate is O=COC1(C(=O)OC2CCCC2)CCC1.
What is the InChIKey of cyclopentyl 1-formyloxycyclobutane-1-carboxylate?
The InChIKey is IUNAWOQNGBWAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c12-8-14-11(6-3-7-11)10(13)15-9-4-1-2-5-9/h8-9H,1-7H2.
What are the key properties of cyclopentyl 1-formyloxycyclobutane-1-carboxylate?
cyclopentyl 1-formyloxycyclobutane-1-carboxylate has a molecular weight of 212.24 g/mol, XLogP of 1.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 1-formyloxycyclobutane-1-carboxylate is sourced from PubChem (CID 90746648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).