diethyl 2,3-diethoxy-2,3-diethylbutanedioate

C16H30O6 — CID 139989312

IUPACdiethyl 2,3-diethoxy-2,3-diethylbutanedioate
SMILESCCOC(=O)C(CC)(OCC)C(CC)(OCC)C(=O)OCC
InChIInChI=1S/C16H30O6/c1-7-15(21-11-5,13(17)19-9-3)16(8-2,22-12-6)14(18)20-10-4/h7-12H2,1-6H3
InChIKeyYDGHTFHJTWWLST-UHFFFAOYSA-N
MW318.41 g/mol
LogP2.48
Rot. Bonds11

About diethyl 2,3-diethoxy-2,3-diethylbutanedioate

diethyl 2,3-diethoxy-2,3-diethylbutanedioate (PubChem CID 139989312) has the molecular formula C16H30O6 and a molecular weight of 318.41 g/mol. Its IUPAC name is diethyl 2,3-diethoxy-2,3-diethylbutanedioate.

Molecular Properties

Compound Namediethyl 2,3-diethoxy-2,3-diethylbutanedioate
PubChem CID139989312
Molecular FormulaC16H30O6
Molecular Weight318.41 g/mol
Exact Mass318.20
IUPAC Namediethyl 2,3-diethoxy-2,3-diethylbutanedioate
SMILESCCOC(=O)C(CC)(OCC)C(CC)(OCC)C(=O)OCC
InChIInChI=1S/C16H30O6/c1-7-15(21-11-5,13(17)19-9-3)16(8-2,22-12-6)14(18)20-10-4/h7-12H2,1-6H3
InChIKeyYDGHTFHJTWWLST-UHFFFAOYSA-N
XLogP2.48
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-ethoxy-2-methylbutanoate
CID 21285842
ethyl 2-ethyl-2-hydroperoxy-3,3-dimethylbutanoate
CID 174709323
ethyl 2-ethoxy-2-ethyl-3-oxobutanoate
CID 6420926
diethyl 2,2,3,3-tetrahydroxybutanedioate
CID 11264895
ethyl 4-ethoxy-2,2,4-trimethyl-3-oxohexanoate
CID 116774844
ethyl 2,2-dibromobutanoate
CID 11265786
triethyl 2-ethoxypropane-1,2,3-tricarboxylate
CID 57322317
ethyl 2-(dimethylamino)-2,2-diethoxyacetate
CID 12514181
ethyl 2,2-dimethylpropanoate;hydrochloride
CID 141019550
ethyl 2,2,3-triethoxypropanoate
CID 175005029
tetraethyl 1-bromo-2-ethoxyethane-1,1,2,2-tetracarboxylate
CID 71337466
ethyl 2-amino-2-methylbutanoate;hydrochloride
CID 175342051

Frequently Asked Questions

What is the IUPAC name of diethyl 2,3-diethoxy-2,3-diethylbutanedioate?
The IUPAC name of diethyl 2,3-diethoxy-2,3-diethylbutanedioate (CID 139989312) is diethyl 2,3-diethoxy-2,3-diethylbutanedioate.
What is the SMILES notation for diethyl 2,3-diethoxy-2,3-diethylbutanedioate?
The canonical SMILES for diethyl 2,3-diethoxy-2,3-diethylbutanedioate is CCOC(=O)C(CC)(OCC)C(CC)(OCC)C(=O)OCC.
What is the InChIKey of diethyl 2,3-diethoxy-2,3-diethylbutanedioate?
The InChIKey is YDGHTFHJTWWLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O6/c1-7-15(21-11-5,13(17)19-9-3)16(8-2,22-12-6)14(18)20-10-4/h7-12H2,1-6H3.
What are the key properties of diethyl 2,3-diethoxy-2,3-diethylbutanedioate?
diethyl 2,3-diethoxy-2,3-diethylbutanedioate has a molecular weight of 318.41 g/mol, XLogP of 2.48, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2,3-diethoxy-2,3-diethylbutanedioate is sourced from PubChem (CID 139989312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).