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

C17H32O8 — CID 131978337

IUPACbis[1-(1-methoxypropan-2-yloxy)propan-2-yl] propanedioate
SMILESCOCC(C)OCC(C)OC(=O)CC(=O)OC(C)COC(C)COC
InChIInChI=1S/C17H32O8/c1-12(8-20-5)22-10-14(3)24-16(18)7-17(19)25-15(4)11-23-13(2)9-21-6/h12-15H,7-11H2,1-6H3
InChIKeyRKYGWCUQGNQOFM-UHFFFAOYSA-N
MW364.44 g/mol
LogP1.34
Rot. Bonds14

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

bis[1-(1-methoxypropan-2-yloxy)propan-2-yl] propanedioate (PubChem CID 131978337) has the molecular formula C17H32O8 and a molecular weight of 364.44 g/mol. Its IUPAC name is bis[1-(1-methoxypropan-2-yloxy)propan-2-yl] propanedioate.

Molecular Properties

Compound Namebis[1-(1-methoxypropan-2-yloxy)propan-2-yl] propanedioate
PubChem CID131978337
Molecular FormulaC17H32O8
Molecular Weight364.44 g/mol
Exact Mass364.21
IUPAC Namebis[1-(1-methoxypropan-2-yloxy)propan-2-yl] propanedioate
SMILESCOCC(C)OCC(C)OC(=O)CC(=O)OC(C)COC(C)COC
InChIInChI=1S/C17H32O8/c1-12(8-20-5)22-10-14(3)24-16(18)7-17(19)25-15(4)11-23-13(2)9-21-6/h12-15H,7-11H2,1-6H3
InChIKeyRKYGWCUQGNQOFM-UHFFFAOYSA-N
XLogP1.34
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

[(2R)-1-[(2S)-1-methoxypropan-2-yl]oxypropan-2-yl] acetate
CID 95051084
1-[1-[1-[1-[1-[1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yl 2-methylprop-2-enoate
CID 22918055
1-(1-methoxypropan-2-yloxy)propan-2-yl nonanoate
CID 91732580
1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl 2-methylprop-2-enoate;1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl prop-2-enoate
CID 87968331
bis[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl] cyclohexane-1,2-dicarboxylate
CID 67978346
1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yl benzoate
CID 23036606
zinc bis(4-(1-methoxypropan-2-yloxy)-4-oxobutanoate)
CID 87576637
dimethyl butanedioate;1-methoxypropan-2-yl acetate
CID 18699572
ethene;1-methoxypropan-2-yl 4-(2-hydroxypropanoyloxy)-3-oxopentanoate
CID 90790206
2-[2-[2-(2-chloroacetyl)oxypropoxy]propoxy]propyl 2-chloroacetate
CID 118067128
2-O,3-O-bis(1-methoxypropan-2-yl) 1-O,4-O-dimethyl butane-1,2,3,4-tetracarboxylate
CID 58177628
methane;1-methoxy-2-(2-methoxypropoxy)propane
CID 161499840

Frequently Asked Questions

What is the IUPAC name of bis[1-(1-methoxypropan-2-yloxy)propan-2-yl] propanedioate?
The IUPAC name of bis[1-(1-methoxypropan-2-yloxy)propan-2-yl] propanedioate (CID 131978337) is bis[1-(1-methoxypropan-2-yloxy)propan-2-yl] propanedioate.
What is the SMILES notation for bis[1-(1-methoxypropan-2-yloxy)propan-2-yl] propanedioate?
The canonical SMILES for bis[1-(1-methoxypropan-2-yloxy)propan-2-yl] propanedioate is COCC(C)OCC(C)OC(=O)CC(=O)OC(C)COC(C)COC.
What is the InChIKey of bis[1-(1-methoxypropan-2-yloxy)propan-2-yl] propanedioate?
The InChIKey is RKYGWCUQGNQOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O8/c1-12(8-20-5)22-10-14(3)24-16(18)7-17(19)25-15(4)11-23-13(2)9-21-6/h12-15H,7-11H2,1-6H3.
What are the key properties of bis[1-(1-methoxypropan-2-yloxy)propan-2-yl] propanedioate?
bis[1-(1-methoxypropan-2-yloxy)propan-2-yl] propanedioate has a molecular weight of 364.44 g/mol, XLogP of 1.34, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis[1-(1-methoxypropan-2-yloxy)propan-2-yl] propanedioate is sourced from PubChem (CID 131978337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).