2-(2-methoxypropoxycarbonyloxy)propyl 2-methylpropyl carbonate

C13H24O7 — CID 58422700

IUPAC2-(2-methoxypropoxycarbonyloxy)propyl 2-methylpropyl carbonate
SMILESCOC(C)COC(=O)OC(C)COC(=O)OCC(C)C
InChIInChI=1S/C13H24O7/c1-9(2)6-17-12(14)18-8-11(4)20-13(15)19-7-10(3)16-5/h9-11H,6-8H2,1-5H3
InChIKeyRTKJYWRMOSAEAG-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.37
Rot. Bonds8

About 2-(2-methoxypropoxycarbonyloxy)propyl 2-methylpropyl carbonate

2-(2-methoxypropoxycarbonyloxy)propyl 2-methylpropyl carbonate (PubChem CID 58422700) has the molecular formula C13H24O7 and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-(2-methoxypropoxycarbonyloxy)propyl 2-methylpropyl carbonate.

Molecular Properties

Compound Name2-(2-methoxypropoxycarbonyloxy)propyl 2-methylpropyl carbonate
PubChem CID58422700
Molecular FormulaC13H24O7
Molecular Weight292.33 g/mol
Exact Mass292.15
IUPAC Name2-(2-methoxypropoxycarbonyloxy)propyl 2-methylpropyl carbonate
SMILESCOC(C)COC(=O)OC(C)COC(=O)OCC(C)C
InChIInChI=1S/C13H24O7/c1-9(2)6-17-12(14)18-8-11(4)20-13(15)19-7-10(3)16-5/h9-11H,6-8H2,1-5H3
InChIKeyRTKJYWRMOSAEAG-UHFFFAOYSA-N
XLogP2.37
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxypropoxycarbonyloxy)propyl 2-methylpropyl carbonate?
The IUPAC name of 2-(2-methoxypropoxycarbonyloxy)propyl 2-methylpropyl carbonate (CID 58422700) is 2-(2-methoxypropoxycarbonyloxy)propyl 2-methylpropyl carbonate.
What is the SMILES notation for 2-(2-methoxypropoxycarbonyloxy)propyl 2-methylpropyl carbonate?
The canonical SMILES for 2-(2-methoxypropoxycarbonyloxy)propyl 2-methylpropyl carbonate is COC(C)COC(=O)OC(C)COC(=O)OCC(C)C.
What is the InChIKey of 2-(2-methoxypropoxycarbonyloxy)propyl 2-methylpropyl carbonate?
The InChIKey is RTKJYWRMOSAEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O7/c1-9(2)6-17-12(14)18-8-11(4)20-13(15)19-7-10(3)16-5/h9-11H,6-8H2,1-5H3.
What are the key properties of 2-(2-methoxypropoxycarbonyloxy)propyl 2-methylpropyl carbonate?
2-(2-methoxypropoxycarbonyloxy)propyl 2-methylpropyl carbonate has a molecular weight of 292.33 g/mol, XLogP of 2.37, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxypropoxycarbonyloxy)propyl 2-methylpropyl carbonate is sourced from PubChem (CID 58422700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).