bis(1-methoxy-1-propoxypropyl) carbonate

C15H30O7 — CID 88525721

IUPACbis(1-methoxy-1-propoxypropyl) carbonate
SMILESCCCOC(CC)(OC)OC(=O)OC(CC)(OC)OCCC
InChIInChI=1S/C15H30O7/c1-7-11-19-14(9-3,17-5)21-13(16)22-15(10-4,18-6)20-12-8-2/h7-12H2,1-6H3
InChIKeyJQSVWPHMEBVQCR-UHFFFAOYSA-N
MW322.40 g/mol
LogP3.41
Rot. Bonds12

About bis(1-methoxy-1-propoxypropyl) carbonate

bis(1-methoxy-1-propoxypropyl) carbonate (PubChem CID 88525721) has the molecular formula C15H30O7 and a molecular weight of 322.40 g/mol. Its IUPAC name is bis(1-methoxy-1-propoxypropyl) carbonate.

Molecular Properties

Compound Namebis(1-methoxy-1-propoxypropyl) carbonate
PubChem CID88525721
Molecular FormulaC15H30O7
Molecular Weight322.40 g/mol
Exact Mass322.20
IUPAC Namebis(1-methoxy-1-propoxypropyl) carbonate
SMILESCCCOC(CC)(OC)OC(=O)OC(CC)(OC)OCCC
InChIInChI=1S/C15H30O7/c1-7-11-19-14(9-3,17-5)21-13(16)22-15(10-4,18-6)20-12-8-2/h7-12H2,1-6H3
InChIKeyJQSVWPHMEBVQCR-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,1-dipropoxypropyl acetate
CID 141080960
1,1-dimethoxypropyl hydrogen carbonate
CID 175172904
6-(1,1-dipropoxypropoxy)-6-oxohexanoic acid
CID 21297023
(4-ethoxy-4-methoxy-4-propoxybutyl) hydrogen carbonate
CID 151373668
1,1-dimethoxybutoxy 1,1-dimethoxybutyl carbonate
CID 88625127
1,1-dimethoxypropyl but-2-enoate
CID 173408111
bis(2-methylprop-2-enoic acid);1,1,1-trimethoxypropane
CID 88807806
4-methoxy-2,4-dimethyl-2-propoxypentanoic acid
CID 114989299
bis(3-methylpent-1-en-3-yl) carbonate
CID 174555873
bis(2-ethoxypropan-2-yl) carbonate
CID 87247770
2,3-dimethyl-3-propoxyheptan-4-one
CID 83225943
1,2,2,2-tetrafluoro-1-propoxyethanesulfonyl fluoride
CID 18400465

Frequently Asked Questions

What is the IUPAC name of bis(1-methoxy-1-propoxypropyl) carbonate?
The IUPAC name of bis(1-methoxy-1-propoxypropyl) carbonate (CID 88525721) is bis(1-methoxy-1-propoxypropyl) carbonate.
What is the SMILES notation for bis(1-methoxy-1-propoxypropyl) carbonate?
The canonical SMILES for bis(1-methoxy-1-propoxypropyl) carbonate is CCCOC(CC)(OC)OC(=O)OC(CC)(OC)OCCC.
What is the InChIKey of bis(1-methoxy-1-propoxypropyl) carbonate?
The InChIKey is JQSVWPHMEBVQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O7/c1-7-11-19-14(9-3,17-5)21-13(16)22-15(10-4,18-6)20-12-8-2/h7-12H2,1-6H3.
What are the key properties of bis(1-methoxy-1-propoxypropyl) carbonate?
bis(1-methoxy-1-propoxypropyl) carbonate has a molecular weight of 322.40 g/mol, XLogP of 3.41, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-methoxy-1-propoxypropyl) carbonate is sourced from PubChem (CID 88525721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).