bis[1-(1-methoxypropan-2-yloxy)propan-2-yl] carbonate

C15H30O7 — CID 101196635

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

About bis[1-(1-methoxypropan-2-yloxy)propan-2-yl] carbonate

bis[1-(1-methoxypropan-2-yloxy)propan-2-yl] carbonate (PubChem CID 101196635) has the molecular formula C15H30O7 and a molecular weight of 322.40 g/mol. Its IUPAC name is bis[1-(1-methoxypropan-2-yloxy)propan-2-yl] carbonate.

Molecular Properties

Compound Namebis[1-(1-methoxypropan-2-yloxy)propan-2-yl] carbonate
PubChem CID101196635
Molecular FormulaC15H30O7
Molecular Weight322.40 g/mol
Exact Mass322.20
IUPAC Namebis[1-(1-methoxypropan-2-yloxy)propan-2-yl] carbonate
SMILESCOCC(C)OCC(C)OC(=O)OC(C)COC(C)COC
InChIInChI=1S/C15H30O7/c1-11(7-17-5)19-9-13(3)21-15(16)22-14(4)10-20-12(2)8-18-6/h11-14H,7-10H2,1-6H3
InChIKeyZSXCSDNGMKTAKY-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[1-(1-methoxypropan-2-yloxy)propan-2-yl] carbonate?
The IUPAC name of bis[1-(1-methoxypropan-2-yloxy)propan-2-yl] carbonate (CID 101196635) is bis[1-(1-methoxypropan-2-yloxy)propan-2-yl] carbonate.
What is the SMILES notation for bis[1-(1-methoxypropan-2-yloxy)propan-2-yl] carbonate?
The canonical SMILES for bis[1-(1-methoxypropan-2-yloxy)propan-2-yl] carbonate is COCC(C)OCC(C)OC(=O)OC(C)COC(C)COC.
What is the InChIKey of bis[1-(1-methoxypropan-2-yloxy)propan-2-yl] carbonate?
The InChIKey is ZSXCSDNGMKTAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O7/c1-11(7-17-5)19-9-13(3)21-15(16)22-14(4)10-20-12(2)8-18-6/h11-14H,7-10H2,1-6H3.
What are the key properties of bis[1-(1-methoxypropan-2-yloxy)propan-2-yl] carbonate?
bis[1-(1-methoxypropan-2-yloxy)propan-2-yl] 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[1-(1-methoxypropan-2-yloxy)propan-2-yl] carbonate is sourced from PubChem (CID 101196635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).