cyclobutyl 1-formyloxycyclopentane-1-carboxylate

C11H16O4 — CID 87797852

IUPACcyclobutyl 1-formyloxycyclopentane-1-carboxylate
SMILESO=COC1(C(=O)OC2CCC2)CCCC1
InChIInChI=1S/C11H16O4/c12-8-14-11(6-1-2-7-11)10(13)15-9-4-3-5-9/h8-9H,1-7H2
InChIKeyAXYWBLCRYYCAMR-UHFFFAOYSA-N
MW212.24 g/mol
LogP1.57
Rot. Bonds4

About cyclobutyl 1-formyloxycyclopentane-1-carboxylate

cyclobutyl 1-formyloxycyclopentane-1-carboxylate (PubChem CID 87797852) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is cyclobutyl 1-formyloxycyclopentane-1-carboxylate.

Molecular Properties

Compound Namecyclobutyl 1-formyloxycyclopentane-1-carboxylate
PubChem CID87797852
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Namecyclobutyl 1-formyloxycyclopentane-1-carboxylate
SMILESO=COC1(C(=O)OC2CCC2)CCCC1
InChIInChI=1S/C11H16O4/c12-8-14-11(6-1-2-7-11)10(13)15-9-4-3-5-9/h8-9H,1-7H2
InChIKeyAXYWBLCRYYCAMR-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'}

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Frequently Asked Questions

What is the IUPAC name of cyclobutyl 1-formyloxycyclopentane-1-carboxylate?
The IUPAC name of cyclobutyl 1-formyloxycyclopentane-1-carboxylate (CID 87797852) is cyclobutyl 1-formyloxycyclopentane-1-carboxylate.
What is the SMILES notation for cyclobutyl 1-formyloxycyclopentane-1-carboxylate?
The canonical SMILES for cyclobutyl 1-formyloxycyclopentane-1-carboxylate is O=COC1(C(=O)OC2CCC2)CCCC1.
What is the InChIKey of cyclobutyl 1-formyloxycyclopentane-1-carboxylate?
The InChIKey is AXYWBLCRYYCAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c12-8-14-11(6-1-2-7-11)10(13)15-9-4-3-5-9/h8-9H,1-7H2.
What are the key properties of cyclobutyl 1-formyloxycyclopentane-1-carboxylate?
cyclobutyl 1-formyloxycyclopentane-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 cyclobutyl 1-formyloxycyclopentane-1-carboxylate is sourced from PubChem (CID 87797852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).