2,3-dihydrofuran-3-yl 2,3-dihydrofuran-3-yloxycarbonyloxymethyl carbonate

C11H12O8 — CID 54222142

IUPAC2,3-dihydrofuran-3-yl 2,3-dihydrofuran-3-yloxycarbonyloxymethyl carbonate
SMILESO=C(OCOC(=O)OC1C=COC1)OC1C=COC1
InChIInChI=1S/C11H12O8/c12-10(18-8-1-3-14-5-8)16-7-17-11(13)19-9-2-4-15-6-9/h1-4,8-9H,5-7H2
InChIKeyQDILUHMULVWBED-UHFFFAOYSA-N
MW272.21 g/mol
LogP1.08
Rot. Bonds4

About 2,3-dihydrofuran-3-yl 2,3-dihydrofuran-3-yloxycarbonyloxymethyl carbonate

2,3-dihydrofuran-3-yl 2,3-dihydrofuran-3-yloxycarbonyloxymethyl carbonate (PubChem CID 54222142) has the molecular formula C11H12O8 and a molecular weight of 272.21 g/mol. Its IUPAC name is 2,3-dihydrofuran-3-yl 2,3-dihydrofuran-3-yloxycarbonyloxymethyl carbonate.

Molecular Properties

Compound Name2,3-dihydrofuran-3-yl 2,3-dihydrofuran-3-yloxycarbonyloxymethyl carbonate
PubChem CID54222142
Molecular FormulaC11H12O8
Molecular Weight272.21 g/mol
Exact Mass272.05
IUPAC Name2,3-dihydrofuran-3-yl 2,3-dihydrofuran-3-yloxycarbonyloxymethyl carbonate
SMILESO=C(OCOC(=O)OC1C=COC1)OC1C=COC1
InChIInChI=1S/C11H12O8/c12-10(18-8-1-3-14-5-8)16-7-17-11(13)19-9-2-4-15-6-9/h1-4,8-9H,5-7H2
InChIKeyQDILUHMULVWBED-UHFFFAOYSA-N
XLogP1.08
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.21
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydrofuran-3-yl 2,3-dihydrofuran-3-yloxycarbonyloxymethyl carbonate?
The IUPAC name of 2,3-dihydrofuran-3-yl 2,3-dihydrofuran-3-yloxycarbonyloxymethyl carbonate (CID 54222142) is 2,3-dihydrofuran-3-yl 2,3-dihydrofuran-3-yloxycarbonyloxymethyl carbonate.
What is the SMILES notation for 2,3-dihydrofuran-3-yl 2,3-dihydrofuran-3-yloxycarbonyloxymethyl carbonate?
The canonical SMILES for 2,3-dihydrofuran-3-yl 2,3-dihydrofuran-3-yloxycarbonyloxymethyl carbonate is O=C(OCOC(=O)OC1C=COC1)OC1C=COC1.
What is the InChIKey of 2,3-dihydrofuran-3-yl 2,3-dihydrofuran-3-yloxycarbonyloxymethyl carbonate?
The InChIKey is QDILUHMULVWBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O8/c12-10(18-8-1-3-14-5-8)16-7-17-11(13)19-9-2-4-15-6-9/h1-4,8-9H,5-7H2.
What are the key properties of 2,3-dihydrofuran-3-yl 2,3-dihydrofuran-3-yloxycarbonyloxymethyl carbonate?
2,3-dihydrofuran-3-yl 2,3-dihydrofuran-3-yloxycarbonyloxymethyl carbonate has a molecular weight of 272.21 g/mol, XLogP of 1.08, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydrofuran-3-yl 2,3-dihydrofuran-3-yloxycarbonyloxymethyl carbonate is sourced from PubChem (CID 54222142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).