[3-methoxycarbonyloxy-2-(methoxycarbonyloxymethyl)-2-methylpropyl] methyl carbonate

C11H18O9 — CID 118490954

IUPAC[3-methoxycarbonyloxy-2-(methoxycarbonyloxymethyl)-2-methylpropyl] methyl carbonate
SMILESCOC(=O)OCC(C)(COC(=O)OC)COC(=O)OC
InChIInChI=1S/C11H18O9/c1-11(5-18-8(12)15-2,6-19-9(13)16-3)7-20-10(14)17-4/h5-7H2,1-4H3
InChIKeyJHXHYGQUXISENU-UHFFFAOYSA-N
MW294.26 g/mol
LogP1.34
Rot. Bonds6

About [3-methoxycarbonyloxy-2-(methoxycarbonyloxymethyl)-2-methylpropyl] methyl carbonate

[3-methoxycarbonyloxy-2-(methoxycarbonyloxymethyl)-2-methylpropyl] methyl carbonate (PubChem CID 118490954) has the molecular formula C11H18O9 and a molecular weight of 294.26 g/mol. Its IUPAC name is [3-methoxycarbonyloxy-2-(methoxycarbonyloxymethyl)-2-methylpropyl] methyl carbonate.

Molecular Properties

Compound Name[3-methoxycarbonyloxy-2-(methoxycarbonyloxymethyl)-2-methylpropyl] methyl carbonate
PubChem CID118490954
Molecular FormulaC11H18O9
Molecular Weight294.26 g/mol
Exact Mass294.10
IUPAC Name[3-methoxycarbonyloxy-2-(methoxycarbonyloxymethyl)-2-methylpropyl] methyl carbonate
SMILESCOC(=O)OCC(C)(COC(=O)OC)COC(=O)OC
InChIInChI=1S/C11H18O9/c1-11(5-18-8(12)15-2,6-19-9(13)16-3)7-20-10(14)17-4/h5-7H2,1-4H3
InChIKeyJHXHYGQUXISENU-UHFFFAOYSA-N
XLogP1.34
TPSA106.59 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.26
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-methoxycarbonyloxy-2-(methoxycarbonyloxymethyl)-2-methylpropyl] methyl carbonate?
The IUPAC name of [3-methoxycarbonyloxy-2-(methoxycarbonyloxymethyl)-2-methylpropyl] methyl carbonate (CID 118490954) is [3-methoxycarbonyloxy-2-(methoxycarbonyloxymethyl)-2-methylpropyl] methyl carbonate.
What is the SMILES notation for [3-methoxycarbonyloxy-2-(methoxycarbonyloxymethyl)-2-methylpropyl] methyl carbonate?
The canonical SMILES for [3-methoxycarbonyloxy-2-(methoxycarbonyloxymethyl)-2-methylpropyl] methyl carbonate is COC(=O)OCC(C)(COC(=O)OC)COC(=O)OC.
What is the InChIKey of [3-methoxycarbonyloxy-2-(methoxycarbonyloxymethyl)-2-methylpropyl] methyl carbonate?
The InChIKey is JHXHYGQUXISENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O9/c1-11(5-18-8(12)15-2,6-19-9(13)16-3)7-20-10(14)17-4/h5-7H2,1-4H3.
What are the key properties of [3-methoxycarbonyloxy-2-(methoxycarbonyloxymethyl)-2-methylpropyl] methyl carbonate?
[3-methoxycarbonyloxy-2-(methoxycarbonyloxymethyl)-2-methylpropyl] methyl carbonate has a molecular weight of 294.26 g/mol, XLogP of 1.34, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxycarbonyloxy-2-(methoxycarbonyloxymethyl)-2-methylpropyl] methyl carbonate is sourced from PubChem (CID 118490954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).