(4-ethoxycarbonyloxyfuran-3-yl) ethyl carbonate

C10H12O7 — CID 70484352

IUPAC(4-ethoxycarbonyloxyfuran-3-yl) ethyl carbonate
SMILESCCOC(=O)Oc1cocc1OC(=O)OCC
InChIInChI=1S/C10H12O7/c1-3-14-9(11)16-7-5-13-6-8(7)17-10(12)15-4-2/h5-6H,3-4H2,1-2H3
InChIKeyCMMRKIMUXBKAPO-UHFFFAOYSA-N
MW244.20 g/mol
LogP2.35
Rot. Bonds4

About (4-ethoxycarbonyloxyfuran-3-yl) ethyl carbonate

(4-ethoxycarbonyloxyfuran-3-yl) ethyl carbonate (PubChem CID 70484352) has the molecular formula C10H12O7 and a molecular weight of 244.20 g/mol. Its IUPAC name is (4-ethoxycarbonyloxyfuran-3-yl) ethyl carbonate.

Molecular Properties

Compound Name(4-ethoxycarbonyloxyfuran-3-yl) ethyl carbonate
PubChem CID70484352
Molecular FormulaC10H12O7
Molecular Weight244.20 g/mol
Exact Mass244.06
IUPAC Name(4-ethoxycarbonyloxyfuran-3-yl) ethyl carbonate
SMILESCCOC(=O)Oc1cocc1OC(=O)OCC
InChIInChI=1S/C10H12O7/c1-3-14-9(11)16-7-5-13-6-8(7)17-10(12)15-4-2/h5-6H,3-4H2,1-2H3
InChIKeyCMMRKIMUXBKAPO-UHFFFAOYSA-N
XLogP2.35
TPSA84.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.20
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4-ethoxycarbonyloxyfuran-3-yl) ethyl carbonate?
The IUPAC name of (4-ethoxycarbonyloxyfuran-3-yl) ethyl carbonate (CID 70484352) is (4-ethoxycarbonyloxyfuran-3-yl) ethyl carbonate.
What is the SMILES notation for (4-ethoxycarbonyloxyfuran-3-yl) ethyl carbonate?
The canonical SMILES for (4-ethoxycarbonyloxyfuran-3-yl) ethyl carbonate is CCOC(=O)Oc1cocc1OC(=O)OCC.
What is the InChIKey of (4-ethoxycarbonyloxyfuran-3-yl) ethyl carbonate?
The InChIKey is CMMRKIMUXBKAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O7/c1-3-14-9(11)16-7-5-13-6-8(7)17-10(12)15-4-2/h5-6H,3-4H2,1-2H3.
What are the key properties of (4-ethoxycarbonyloxyfuran-3-yl) ethyl carbonate?
(4-ethoxycarbonyloxyfuran-3-yl) ethyl carbonate has a molecular weight of 244.20 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxycarbonyloxyfuran-3-yl) ethyl carbonate is sourced from PubChem (CID 70484352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).