3-methoxycarbonyloxypropyl methyl carbonate

C7H12O6 — CID 57142250

IUPAC3-methoxycarbonyloxypropyl methyl carbonate
SMILESCOC(=O)OCCCOC(=O)OC
InChIInChI=1S/C7H12O6/c1-10-6(8)12-4-3-5-13-7(9)11-2/h3-5H2,1-2H3
InChIKeyULEIFMXQHFDIEP-UHFFFAOYSA-N
MW192.17 g/mol
LogP0.94
Rot. Bonds4

About 3-methoxycarbonyloxypropyl methyl carbonate

3-methoxycarbonyloxypropyl methyl carbonate (PubChem CID 57142250) has the molecular formula C7H12O6 and a molecular weight of 192.17 g/mol. Its IUPAC name is 3-methoxycarbonyloxypropyl methyl carbonate.

Molecular Properties

Compound Name3-methoxycarbonyloxypropyl methyl carbonate
PubChem CID57142250
Molecular FormulaC7H12O6
Molecular Weight192.17 g/mol
Exact Mass192.06
IUPAC Name3-methoxycarbonyloxypropyl methyl carbonate
SMILESCOC(=O)OCCCOC(=O)OC
InChIInChI=1S/C7H12O6/c1-10-6(8)12-4-3-5-13-7(9)11-2/h3-5H2,1-2H3
InChIKeyULEIFMXQHFDIEP-UHFFFAOYSA-N
XLogP0.94
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methoxycarbonyloxypropyl methyl carbonate?
The IUPAC name of 3-methoxycarbonyloxypropyl methyl carbonate (CID 57142250) is 3-methoxycarbonyloxypropyl methyl carbonate.
What is the SMILES notation for 3-methoxycarbonyloxypropyl methyl carbonate?
The canonical SMILES for 3-methoxycarbonyloxypropyl methyl carbonate is COC(=O)OCCCOC(=O)OC.
What is the InChIKey of 3-methoxycarbonyloxypropyl methyl carbonate?
The InChIKey is ULEIFMXQHFDIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O6/c1-10-6(8)12-4-3-5-13-7(9)11-2/h3-5H2,1-2H3.
What are the key properties of 3-methoxycarbonyloxypropyl methyl carbonate?
3-methoxycarbonyloxypropyl methyl carbonate has a molecular weight of 192.17 g/mol, XLogP of 0.94, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxycarbonyloxypropyl methyl carbonate is sourced from PubChem (CID 57142250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).