bis[2-(2-methoxypropoxy)propyl] carbonate

C15H30O7 — CID 139751195

IUPACbis[2-(2-methoxypropoxy)propyl] carbonate
SMILESCOC(C)COC(C)COC(=O)OCC(C)OCC(C)OC
InChIInChI=1S/C15H30O7/c1-11(17-5)7-19-13(3)9-21-15(16)22-10-14(4)20-8-12(2)18-6/h11-14H,7-10H2,1-6H3
InChIKeyRPQDIKXQGLMZGS-UHFFFAOYSA-N
MW322.40 g/mol
LogP2.02
Rot. Bonds12

About bis[2-(2-methoxypropoxy)propyl] carbonate

bis[2-(2-methoxypropoxy)propyl] carbonate (PubChem CID 139751195) has the molecular formula C15H30O7 and a molecular weight of 322.40 g/mol. Its IUPAC name is bis[2-(2-methoxypropoxy)propyl] carbonate.

Molecular Properties

Compound Namebis[2-(2-methoxypropoxy)propyl] carbonate
PubChem CID139751195
Molecular FormulaC15H30O7
Molecular Weight322.40 g/mol
Exact Mass322.20
IUPAC Namebis[2-(2-methoxypropoxy)propyl] carbonate
SMILESCOC(C)COC(C)COC(=O)OCC(C)OCC(C)OC
InChIInChI=1S/C15H30O7/c1-11(17-5)7-19-13(3)9-21-15(16)22-10-14(4)20-8-12(2)18-6/h11-14H,7-10H2,1-6H3
InChIKeyRPQDIKXQGLMZGS-UHFFFAOYSA-N
XLogP2.02
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of bis[2-(2-methoxypropoxy)propyl] carbonate?
The IUPAC name of bis[2-(2-methoxypropoxy)propyl] carbonate (CID 139751195) is bis[2-(2-methoxypropoxy)propyl] carbonate.
What is the SMILES notation for bis[2-(2-methoxypropoxy)propyl] carbonate?
The canonical SMILES for bis[2-(2-methoxypropoxy)propyl] carbonate is COC(C)COC(C)COC(=O)OCC(C)OCC(C)OC.
What is the InChIKey of bis[2-(2-methoxypropoxy)propyl] carbonate?
The InChIKey is RPQDIKXQGLMZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O7/c1-11(17-5)7-19-13(3)9-21-15(16)22-10-14(4)20-8-12(2)18-6/h11-14H,7-10H2,1-6H3.
What are the key properties of bis[2-(2-methoxypropoxy)propyl] carbonate?
bis[2-(2-methoxypropoxy)propyl] carbonate has a molecular weight of 322.40 g/mol, XLogP of 2.02, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(2-methoxypropoxy)propyl] carbonate is sourced from PubChem (CID 139751195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).