dimethyl 2-(3,3-dimethoxypropyl)propanedioate

C10H18O6 — CID 13379916

IUPACdimethyl 2-(3,3-dimethoxypropyl)propanedioate
SMILESCOC(=O)C(CCC(OC)OC)C(=O)OC
InChIInChI=1S/C10H18O6/c1-13-8(14-2)6-5-7(9(11)15-3)10(12)16-4/h7-8H,5-6H2,1-4H3
InChIKeyZNYLOOSOMNJROS-UHFFFAOYSA-N
MW234.25 g/mol
LogP0.35
Rot. Bonds7

About dimethyl 2-(3,3-dimethoxypropyl)propanedioate

dimethyl 2-(3,3-dimethoxypropyl)propanedioate (PubChem CID 13379916) has the molecular formula C10H18O6 and a molecular weight of 234.25 g/mol. Its IUPAC name is dimethyl 2-(3,3-dimethoxypropyl)propanedioate.

Molecular Properties

Compound Namedimethyl 2-(3,3-dimethoxypropyl)propanedioate
PubChem CID13379916
Molecular FormulaC10H18O6
Molecular Weight234.25 g/mol
Exact Mass234.11
IUPAC Namedimethyl 2-(3,3-dimethoxypropyl)propanedioate
SMILESCOC(=O)C(CCC(OC)OC)C(=O)OC
InChIInChI=1S/C10H18O6/c1-13-8(14-2)6-5-7(9(11)15-3)10(12)16-4/h7-8H,5-6H2,1-4H3
InChIKeyZNYLOOSOMNJROS-UHFFFAOYSA-N
XLogP0.35
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'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-(3,3-dimethoxypropyl)propanedioate?
The IUPAC name of dimethyl 2-(3,3-dimethoxypropyl)propanedioate (CID 13379916) is dimethyl 2-(3,3-dimethoxypropyl)propanedioate.
What is the SMILES notation for dimethyl 2-(3,3-dimethoxypropyl)propanedioate?
The canonical SMILES for dimethyl 2-(3,3-dimethoxypropyl)propanedioate is COC(=O)C(CCC(OC)OC)C(=O)OC.
What is the InChIKey of dimethyl 2-(3,3-dimethoxypropyl)propanedioate?
The InChIKey is ZNYLOOSOMNJROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O6/c1-13-8(14-2)6-5-7(9(11)15-3)10(12)16-4/h7-8H,5-6H2,1-4H3.
What are the key properties of dimethyl 2-(3,3-dimethoxypropyl)propanedioate?
dimethyl 2-(3,3-dimethoxypropyl)propanedioate has a molecular weight of 234.25 g/mol, XLogP of 0.35, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-(3,3-dimethoxypropyl)propanedioate is sourced from PubChem (CID 13379916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).