2-(3,3-dimethoxypropyl)propanedioic acid

C8H14O6 — CID 88660648

IUPAC2-(3,3-dimethoxypropyl)propanedioic acid
SMILESCOC(CCC(C(=O)O)C(=O)O)OC
InChIInChI=1S/C8H14O6/c1-13-6(14-2)4-3-5(7(9)10)8(11)12/h5-6H,3-4H2,1-2H3,(H,9,10)(H,11,12)
InChIKeyJSFCMHLCPVXYLT-UHFFFAOYSA-N
MW206.19 g/mol
LogP0.17
Rot. Bonds7

About 2-(3,3-dimethoxypropyl)propanedioic acid

2-(3,3-dimethoxypropyl)propanedioic acid (PubChem CID 88660648) has the molecular formula C8H14O6 and a molecular weight of 206.19 g/mol. Its IUPAC name is 2-(3,3-dimethoxypropyl)propanedioic acid.

Molecular Properties

Compound Name2-(3,3-dimethoxypropyl)propanedioic acid
PubChem CID88660648
Molecular FormulaC8H14O6
Molecular Weight206.19 g/mol
Exact Mass206.08
IUPAC Name2-(3,3-dimethoxypropyl)propanedioic acid
SMILESCOC(CCC(C(=O)O)C(=O)O)OC
InChIInChI=1S/C8H14O6/c1-13-6(14-2)4-3-5(7(9)10)8(11)12/h5-6H,3-4H2,1-2H3,(H,9,10)(H,11,12)
InChIKeyJSFCMHLCPVXYLT-UHFFFAOYSA-N
XLogP0.17
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.19
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Related Compounds

6,6-dimethoxy-2-methylhexanoic acid
CID 22887849
(2S)-2-amino-6,6-dimethoxy-3-oxohexanoic acid
CID 139917802
(4,4-dimethoxy-1-propanoyloxybutyl) propanoate
CID 121011755
4,4-dimethoxy-1-nitrobutan-1-ol
CID 18541811
methyl 2-(hydroxyamino)-5,5-dimethoxypentanoate
CID 86121156
2-amino-4,4-dimethoxybutanoic acid
CID 20649849
2-(3,3-dimethoxypropyl)propane-1,3-diol
CID 19350817
2,7-dimethoxyoctanedioic acid
CID 22717305
9,9-dimethoxy-6-methylnonan-2-one
CID 14103320
(2S)-5,5-dimethoxy-2-methylpentanoic acid;methane;(2S)-2-methyl-5,5-bis(phenylmethoxy)pentanoic acid
CID 159425765
7,7-dimethoxyheptanamide
CID 134986076
2,2-dimethoxyethylcarbamic acid
CID 18938836

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethoxypropyl)propanedioic acid?
The IUPAC name of 2-(3,3-dimethoxypropyl)propanedioic acid (CID 88660648) is 2-(3,3-dimethoxypropyl)propanedioic acid.
What is the SMILES notation for 2-(3,3-dimethoxypropyl)propanedioic acid?
The canonical SMILES for 2-(3,3-dimethoxypropyl)propanedioic acid is COC(CCC(C(=O)O)C(=O)O)OC.
What is the InChIKey of 2-(3,3-dimethoxypropyl)propanedioic acid?
The InChIKey is JSFCMHLCPVXYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O6/c1-13-6(14-2)4-3-5(7(9)10)8(11)12/h5-6H,3-4H2,1-2H3,(H,9,10)(H,11,12).
What are the key properties of 2-(3,3-dimethoxypropyl)propanedioic acid?
2-(3,3-dimethoxypropyl)propanedioic acid has a molecular weight of 206.19 g/mol, XLogP of 0.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethoxypropyl)propanedioic acid is sourced from PubChem (CID 88660648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).