(2-prop-2-enoxycarbonyloxycyclobutyl) prop-2-enyl carbonate

C12H16O6 — CID 67366069

IUPAC(2-prop-2-enoxycarbonyloxycyclobutyl) prop-2-enyl carbonate
SMILESC=CCOC(=O)OC1CCC1OC(=O)OCC=C
InChIInChI=1S/C12H16O6/c1-3-7-15-11(13)17-9-5-6-10(9)18-12(14)16-8-4-2/h3-4,9-10H,1-2,5-8H2
InChIKeyURPNIUAWPZIVNQ-UHFFFAOYSA-N
MW256.25 g/mol
LogP2.20
Rot. Bonds6

About (2-prop-2-enoxycarbonyloxycyclobutyl) prop-2-enyl carbonate

(2-prop-2-enoxycarbonyloxycyclobutyl) prop-2-enyl carbonate (PubChem CID 67366069) has the molecular formula C12H16O6 and a molecular weight of 256.25 g/mol. Its IUPAC name is (2-prop-2-enoxycarbonyloxycyclobutyl) prop-2-enyl carbonate.

Molecular Properties

Compound Name(2-prop-2-enoxycarbonyloxycyclobutyl) prop-2-enyl carbonate
PubChem CID67366069
Molecular FormulaC12H16O6
Molecular Weight256.25 g/mol
Exact Mass256.09
IUPAC Name(2-prop-2-enoxycarbonyloxycyclobutyl) prop-2-enyl carbonate
SMILESC=CCOC(=O)OC1CCC1OC(=O)OCC=C
InChIInChI=1S/C12H16O6/c1-3-7-15-11(13)17-9-5-6-10(9)18-12(14)16-8-4-2/h3-4,9-10H,1-2,5-8H2
InChIKeyURPNIUAWPZIVNQ-UHFFFAOYSA-N
XLogP2.20
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.25
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2-prop-2-enoxycarbonyloxycyclobutyl) prop-2-enyl carbonate 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 (2-prop-2-enoxycarbonyloxycyclobutyl) prop-2-enyl carbonate?
The IUPAC name of (2-prop-2-enoxycarbonyloxycyclobutyl) prop-2-enyl carbonate (CID 67366069) is (2-prop-2-enoxycarbonyloxycyclobutyl) prop-2-enyl carbonate.
What is the SMILES notation for (2-prop-2-enoxycarbonyloxycyclobutyl) prop-2-enyl carbonate?
The canonical SMILES for (2-prop-2-enoxycarbonyloxycyclobutyl) prop-2-enyl carbonate is C=CCOC(=O)OC1CCC1OC(=O)OCC=C.
What is the InChIKey of (2-prop-2-enoxycarbonyloxycyclobutyl) prop-2-enyl carbonate?
The InChIKey is URPNIUAWPZIVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O6/c1-3-7-15-11(13)17-9-5-6-10(9)18-12(14)16-8-4-2/h3-4,9-10H,1-2,5-8H2.
What are the key properties of (2-prop-2-enoxycarbonyloxycyclobutyl) prop-2-enyl carbonate?
(2-prop-2-enoxycarbonyloxycyclobutyl) prop-2-enyl carbonate has a molecular weight of 256.25 g/mol, XLogP of 2.20, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-prop-2-enoxycarbonyloxycyclobutyl) prop-2-enyl carbonate is sourced from PubChem (CID 67366069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).