diethyl 2-(2,2-diethoxyethyl)-2-methylpropanedioate

C14H26O6 — CID 12825638

IUPACdiethyl 2-(2,2-diethoxyethyl)-2-methylpropanedioate
SMILESCCOC(=O)C(C)(CC(OCC)OCC)C(=O)OCC
InChIInChI=1S/C14H26O6/c1-6-17-11(18-7-2)10-14(5,12(15)19-8-3)13(16)20-9-4/h11H,6-10H2,1-5H3
InChIKeyREBRAYNLAWUVCM-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.91
Rot. Bonds10

About diethyl 2-(2,2-diethoxyethyl)-2-methylpropanedioate

diethyl 2-(2,2-diethoxyethyl)-2-methylpropanedioate (PubChem CID 12825638) has the molecular formula C14H26O6 and a molecular weight of 290.36 g/mol. Its IUPAC name is diethyl 2-(2,2-diethoxyethyl)-2-methylpropanedioate.

Molecular Properties

Compound Namediethyl 2-(2,2-diethoxyethyl)-2-methylpropanedioate
PubChem CID12825638
Molecular FormulaC14H26O6
Molecular Weight290.36 g/mol
Exact Mass290.17
IUPAC Namediethyl 2-(2,2-diethoxyethyl)-2-methylpropanedioate
SMILESCCOC(=O)C(C)(CC(OCC)OCC)C(=O)OCC
InChIInChI=1S/C14H26O6/c1-6-17-11(18-7-2)10-14(5,12(15)19-8-3)13(16)20-9-4/h11H,6-10H2,1-5H3
InChIKeyREBRAYNLAWUVCM-UHFFFAOYSA-N
XLogP1.91
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.91
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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Related Compounds

ethyl 2,2-dimethylpropanoate;hydrochloride
CID 141019550
ethyl 4-ethoxy-2-methyl-2-(methylamino)pentanoate
CID 64706802
3-ethoxycarbonyl-3-methyl-2-oxopentanoic acid
CID 19882273
ethyl 2,2-dichloro-3,3-diethoxypropanoate
CID 14926947
ethane;ethyl 2-bromo-2-methylpropanoate
CID 142239978
diethyl 2,2-ditert-butylpropanedioate
CID 141391919
ethyl 2,2-bis(sulfanyl)propanoate
CID 88516276
diethyl 2-(3,3-difluoro-2-methylprop-2-enyl)-2-methylpropanedioate
CID 11780371
diethyl 3-(1-ethoxy-2-methyl-1-oxopropan-2-yl)-2,2,5,5-tetramethylhexanedioate
CID 141254947
ethyl 5-amino-2,2,4-trimethylpentanoate
CID 123521553
ethyl 2-(methoxymethyl)-2-methyl-3-oxobutanoate
CID 6420389
1,1-diethoxy-4,4-dimethylpentan-3-one
CID 13112448

Frequently Asked Questions

What is the IUPAC name of diethyl 2-(2,2-diethoxyethyl)-2-methylpropanedioate?
The IUPAC name of diethyl 2-(2,2-diethoxyethyl)-2-methylpropanedioate (CID 12825638) is diethyl 2-(2,2-diethoxyethyl)-2-methylpropanedioate.
What is the SMILES notation for diethyl 2-(2,2-diethoxyethyl)-2-methylpropanedioate?
The canonical SMILES for diethyl 2-(2,2-diethoxyethyl)-2-methylpropanedioate is CCOC(=O)C(C)(CC(OCC)OCC)C(=O)OCC.
What is the InChIKey of diethyl 2-(2,2-diethoxyethyl)-2-methylpropanedioate?
The InChIKey is REBRAYNLAWUVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O6/c1-6-17-11(18-7-2)10-14(5,12(15)19-8-3)13(16)20-9-4/h11H,6-10H2,1-5H3.
What are the key properties of diethyl 2-(2,2-diethoxyethyl)-2-methylpropanedioate?
diethyl 2-(2,2-diethoxyethyl)-2-methylpropanedioate has a molecular weight of 290.36 g/mol, XLogP of 1.91, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-(2,2-diethoxyethyl)-2-methylpropanedioate is sourced from PubChem (CID 12825638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).