(3-ethoxycarbonyloxy-7-oxabicyclo[2.2.1]hept-5-en-2-yl) ethyl carbonate

C12H16O7 — CID 67532394

IUPAC(3-ethoxycarbonyloxy-7-oxabicyclo[2.2.1]hept-5-en-2-yl) ethyl carbonate
SMILESCCOC(=O)OC1C2C=CC(O2)C1OC(=O)OCC
InChIInChI=1S/C12H16O7/c1-3-15-11(13)18-9-7-5-6-8(17-7)10(9)19-12(14)16-4-2/h5-10H,3-4H2,1-2H3
InChIKeyZGYUBKBHYACCAP-UHFFFAOYSA-N
MW272.25 g/mol
LogP1.41
Rot. Bonds4

About (3-ethoxycarbonyloxy-7-oxabicyclo[2.2.1]hept-5-en-2-yl) ethyl carbonate

(3-ethoxycarbonyloxy-7-oxabicyclo[2.2.1]hept-5-en-2-yl) ethyl carbonate (PubChem CID 67532394) has the molecular formula C12H16O7 and a molecular weight of 272.25 g/mol. Its IUPAC name is (3-ethoxycarbonyloxy-7-oxabicyclo[2.2.1]hept-5-en-2-yl) ethyl carbonate.

Molecular Properties

Compound Name(3-ethoxycarbonyloxy-7-oxabicyclo[2.2.1]hept-5-en-2-yl) ethyl carbonate
PubChem CID67532394
Molecular FormulaC12H16O7
Molecular Weight272.25 g/mol
Exact Mass272.09
IUPAC Name(3-ethoxycarbonyloxy-7-oxabicyclo[2.2.1]hept-5-en-2-yl) ethyl carbonate
SMILESCCOC(=O)OC1C2C=CC(O2)C1OC(=O)OCC
InChIInChI=1S/C12H16O7/c1-3-15-11(13)18-9-7-5-6-8(17-7)10(9)19-12(14)16-4-2/h5-10H,3-4H2,1-2H3
InChIKeyZGYUBKBHYACCAP-UHFFFAOYSA-N
XLogP1.41
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.25
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-ethoxycarbonyloxy-7-oxabicyclo[2.2.1]hept-5-en-2-yl) ethyl carbonate?
The IUPAC name of (3-ethoxycarbonyloxy-7-oxabicyclo[2.2.1]hept-5-en-2-yl) ethyl carbonate (CID 67532394) is (3-ethoxycarbonyloxy-7-oxabicyclo[2.2.1]hept-5-en-2-yl) ethyl carbonate.
What is the SMILES notation for (3-ethoxycarbonyloxy-7-oxabicyclo[2.2.1]hept-5-en-2-yl) ethyl carbonate?
The canonical SMILES for (3-ethoxycarbonyloxy-7-oxabicyclo[2.2.1]hept-5-en-2-yl) ethyl carbonate is CCOC(=O)OC1C2C=CC(O2)C1OC(=O)OCC.
What is the InChIKey of (3-ethoxycarbonyloxy-7-oxabicyclo[2.2.1]hept-5-en-2-yl) ethyl carbonate?
The InChIKey is ZGYUBKBHYACCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O7/c1-3-15-11(13)18-9-7-5-6-8(17-7)10(9)19-12(14)16-4-2/h5-10H,3-4H2,1-2H3.
What are the key properties of (3-ethoxycarbonyloxy-7-oxabicyclo[2.2.1]hept-5-en-2-yl) ethyl carbonate?
(3-ethoxycarbonyloxy-7-oxabicyclo[2.2.1]hept-5-en-2-yl) ethyl carbonate has a molecular weight of 272.25 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxycarbonyloxy-7-oxabicyclo[2.2.1]hept-5-en-2-yl) ethyl carbonate is sourced from PubChem (CID 67532394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).