1-ethoxycarbonyloxypropan-2-yl ethyl carbonate

C9H16O6 — CID 22506445

IUPAC1-ethoxycarbonyloxypropan-2-yl ethyl carbonate
SMILESCCOC(=O)OCC(C)OC(=O)OCC
InChIInChI=1S/C9H16O6/c1-4-12-8(10)14-6-7(3)15-9(11)13-5-2/h7H,4-6H2,1-3H3
InChIKeyNSLXRDJMYHNCHG-UHFFFAOYSA-N
MW220.22 g/mol
LogP1.72
Rot. Bonds5

About 1-ethoxycarbonyloxypropan-2-yl ethyl carbonate

1-ethoxycarbonyloxypropan-2-yl ethyl carbonate (PubChem CID 22506445) has the molecular formula C9H16O6 and a molecular weight of 220.22 g/mol. Its IUPAC name is 1-ethoxycarbonyloxypropan-2-yl ethyl carbonate.

Molecular Properties

Compound Name1-ethoxycarbonyloxypropan-2-yl ethyl carbonate
PubChem CID22506445
Molecular FormulaC9H16O6
Molecular Weight220.22 g/mol
Exact Mass220.09
IUPAC Name1-ethoxycarbonyloxypropan-2-yl ethyl carbonate
SMILESCCOC(=O)OCC(C)OC(=O)OCC
InChIInChI=1S/C9H16O6/c1-4-12-8(10)14-6-7(3)15-9(11)13-5-2/h7H,4-6H2,1-3H3
InChIKeyNSLXRDJMYHNCHG-UHFFFAOYSA-N
XLogP1.72
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxycarbonyloxypropan-2-yl ethyl carbonate?
The IUPAC name of 1-ethoxycarbonyloxypropan-2-yl ethyl carbonate (CID 22506445) is 1-ethoxycarbonyloxypropan-2-yl ethyl carbonate.
What is the SMILES notation for 1-ethoxycarbonyloxypropan-2-yl ethyl carbonate?
The canonical SMILES for 1-ethoxycarbonyloxypropan-2-yl ethyl carbonate is CCOC(=O)OCC(C)OC(=O)OCC.
What is the InChIKey of 1-ethoxycarbonyloxypropan-2-yl ethyl carbonate?
The InChIKey is NSLXRDJMYHNCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O6/c1-4-12-8(10)14-6-7(3)15-9(11)13-5-2/h7H,4-6H2,1-3H3.
What are the key properties of 1-ethoxycarbonyloxypropan-2-yl ethyl carbonate?
1-ethoxycarbonyloxypropan-2-yl ethyl carbonate has a molecular weight of 220.22 g/mol, XLogP of 1.72, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxycarbonyloxypropan-2-yl ethyl carbonate is sourced from PubChem (CID 22506445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).