dimethyl 2,2-dimethoxypentanedioate

C9H16O6 — CID 10846557

IUPACdimethyl 2,2-dimethoxypentanedioate
SMILESCOC(=O)CCC(OC)(OC)C(=O)OC
InChIInChI=1S/C9H16O6/c1-12-7(10)5-6-9(14-3,15-4)8(11)13-2/h5-6H2,1-4H3
InChIKeyDDOXYXADRPCSSN-UHFFFAOYSA-N
MW220.22 g/mol
LogP0.10
Rot. Bonds6

About dimethyl 2,2-dimethoxypentanedioate

dimethyl 2,2-dimethoxypentanedioate (PubChem CID 10846557) has the molecular formula C9H16O6 and a molecular weight of 220.22 g/mol. Its IUPAC name is dimethyl 2,2-dimethoxypentanedioate.

Molecular Properties

Compound Namedimethyl 2,2-dimethoxypentanedioate
PubChem CID10846557
Molecular FormulaC9H16O6
Molecular Weight220.22 g/mol
Exact Mass220.09
IUPAC Namedimethyl 2,2-dimethoxypentanedioate
SMILESCOC(=O)CCC(OC)(OC)C(=O)OC
InChIInChI=1S/C9H16O6/c1-12-7(10)5-6-9(14-3,15-4)8(11)13-2/h5-6H2,1-4H3
InChIKeyDDOXYXADRPCSSN-UHFFFAOYSA-N
XLogP0.10
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethyl 2,2-dimethoxypentanedioate?
The IUPAC name of dimethyl 2,2-dimethoxypentanedioate (CID 10846557) is dimethyl 2,2-dimethoxypentanedioate.
What is the SMILES notation for dimethyl 2,2-dimethoxypentanedioate?
The canonical SMILES for dimethyl 2,2-dimethoxypentanedioate is COC(=O)CCC(OC)(OC)C(=O)OC.
What is the InChIKey of dimethyl 2,2-dimethoxypentanedioate?
The InChIKey is DDOXYXADRPCSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O6/c1-12-7(10)5-6-9(14-3,15-4)8(11)13-2/h5-6H2,1-4H3.
What are the key properties of dimethyl 2,2-dimethoxypentanedioate?
dimethyl 2,2-dimethoxypentanedioate has a molecular weight of 220.22 g/mol, XLogP of 0.10, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2,2-dimethoxypentanedioate is sourced from PubChem (CID 10846557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).