bis(2,2-dimethoxyethyl) pentanedioate

C13H24O8 — CID 88691343

IUPACbis(2,2-dimethoxyethyl) pentanedioate
SMILESCOC(COC(=O)CCCC(=O)OCC(OC)OC)OC
InChIInChI=1S/C13H24O8/c1-16-12(17-2)8-20-10(14)6-5-7-11(15)21-9-13(18-3)19-4/h12-13H,5-9H2,1-4H3
InChIKeyHKHDCZLXBQSUIM-UHFFFAOYSA-N
MW308.33 g/mol
LogP0.48
Rot. Bonds12

About bis(2,2-dimethoxyethyl) pentanedioate

bis(2,2-dimethoxyethyl) pentanedioate (PubChem CID 88691343) has the molecular formula C13H24O8 and a molecular weight of 308.33 g/mol. Its IUPAC name is bis(2,2-dimethoxyethyl) pentanedioate.

Molecular Properties

Compound Namebis(2,2-dimethoxyethyl) pentanedioate
PubChem CID88691343
Molecular FormulaC13H24O8
Molecular Weight308.33 g/mol
Exact Mass308.15
IUPAC Namebis(2,2-dimethoxyethyl) pentanedioate
SMILESCOC(COC(=O)CCCC(=O)OCC(OC)OC)OC
InChIInChI=1S/C13H24O8/c1-16-12(17-2)8-20-10(14)6-5-7-11(15)21-9-13(18-3)19-4/h12-13H,5-9H2,1-4H3
InChIKeyHKHDCZLXBQSUIM-UHFFFAOYSA-N
XLogP0.48
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

bis(2,2-diethoxyethyl) pentanedioate
CID 88692204
5-[(2S)-2-(1-hydroxybutan-2-yloxy)-2-methoxyethoxy]-5-oxopentanoic acid
CID 130455562
6-O-(1,2-dimethoxyethyl) 1-O-ethyl hexanedioate
CID 175289723
2,2-dimethoxyethyl 2-hydroxypropanoate
CID 151767875
2,2-diethoxyethyl tetradecanoate
CID 156620968
bis(3-methoxybutyl) pentanedioate
CID 91752160
5-(2-hydroxypropoxy)-5-oxopentanoic acid
CID 88687077
2-methylpropyl 5-methoxypentanoate
CID 134561762
bis(2-hydroxybutyl) hexanedioate
CID 54127903
2,3-dimethoxypropyl pentadecanoate
CID 528846
bis(2,5-dimethylhexyl) hexanedioate
CID 155755253
[3-heptanoyloxy-2-(heptanoyloxymethyl)propyl] heptanoate
CID 102240307

Frequently Asked Questions

What is the IUPAC name of bis(2,2-dimethoxyethyl) pentanedioate?
The IUPAC name of bis(2,2-dimethoxyethyl) pentanedioate (CID 88691343) is bis(2,2-dimethoxyethyl) pentanedioate.
What is the SMILES notation for bis(2,2-dimethoxyethyl) pentanedioate?
The canonical SMILES for bis(2,2-dimethoxyethyl) pentanedioate is COC(COC(=O)CCCC(=O)OCC(OC)OC)OC.
What is the InChIKey of bis(2,2-dimethoxyethyl) pentanedioate?
The InChIKey is HKHDCZLXBQSUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O8/c1-16-12(17-2)8-20-10(14)6-5-7-11(15)21-9-13(18-3)19-4/h12-13H,5-9H2,1-4H3.
What are the key properties of bis(2,2-dimethoxyethyl) pentanedioate?
bis(2,2-dimethoxyethyl) pentanedioate has a molecular weight of 308.33 g/mol, XLogP of 0.48, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,2-dimethoxyethyl) pentanedioate is sourced from PubChem (CID 88691343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).