diethyl 2-(2-methoxypropan-2-yloxy)-3-methylbutanedioate

C13H24O6 — CID 559227

IUPACdiethyl 2-(2-methoxypropan-2-yloxy)-3-methylbutanedioate
SMILESCCOC(=O)C(C)C(OC(C)(C)OC)C(=O)OCC
InChIInChI=1S/C13H24O6/c1-7-17-11(14)9(3)10(12(15)18-8-2)19-13(4,5)16-6/h9-10H,7-8H2,1-6H3
InChIKeyCZWLZNHQNLVANY-UHFFFAOYSA-N
MW276.33 g/mol
LogP1.52
Rot. Bonds8

About diethyl 2-(2-methoxypropan-2-yloxy)-3-methylbutanedioate

diethyl 2-(2-methoxypropan-2-yloxy)-3-methylbutanedioate (PubChem CID 559227) has the molecular formula C13H24O6 and a molecular weight of 276.33 g/mol. Its IUPAC name is diethyl 2-(2-methoxypropan-2-yloxy)-3-methylbutanedioate.

Molecular Properties

Compound Namediethyl 2-(2-methoxypropan-2-yloxy)-3-methylbutanedioate
PubChem CID559227
Molecular FormulaC13H24O6
Molecular Weight276.33 g/mol
Exact Mass276.16
IUPAC Namediethyl 2-(2-methoxypropan-2-yloxy)-3-methylbutanedioate
SMILESCCOC(=O)C(C)C(OC(C)(C)OC)C(=O)OCC
InChIInChI=1S/C13H24O6/c1-7-17-11(14)9(3)10(12(15)18-8-2)19-13(4,5)16-6/h9-10H,7-8H2,1-6H3
InChIKeyCZWLZNHQNLVANY-UHFFFAOYSA-N
XLogP1.52
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze diethyl 2-(2-methoxypropan-2-yloxy)-3-methylbutanedioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

diethyl (2R,3R)-2,3-bis(1,1-dimethoxyethoxy)butanedioate
CID 25110848
2-(2-methoxypropan-2-yloxy)propanamide
CID 143054422
ethyl 2,3-dimethylpentanoate
CID 55255239
ethyl (2R,3S)-3-hydroxy-2-methylbutanoate
CID 642623
diethyl 2-ethyl-3-methylbutanedioate
CID 19419903
diethyl (2S,3S)-2-hydroxy-3-methylbutanedioate
CID 2192559
(3R)-4-ethoxy-2,3-dimethyl-4-oxobutanoic acid
CID 150582435
diethyl (2S,3R)-2-hydroxy-3-methylbutanedioate
CID 2192560
ethyl (2R)-2,3,3-trimethylbutanoate
CID 59132263
ethyl 4-methoxy-4-methyl-3-oxo-2-propan-2-ylhexanoate
CID 116774835
ethyl 3,3-diethoxy-2-methoxypropanoate
CID 21412310
ethyl (2S,3S)-3-[ditert-butyl(hydroxy)silyl]-2-methylbutanoate
CID 102207719

Frequently Asked Questions

What is the IUPAC name of diethyl 2-(2-methoxypropan-2-yloxy)-3-methylbutanedioate?
The IUPAC name of diethyl 2-(2-methoxypropan-2-yloxy)-3-methylbutanedioate (CID 559227) is diethyl 2-(2-methoxypropan-2-yloxy)-3-methylbutanedioate.
What is the SMILES notation for diethyl 2-(2-methoxypropan-2-yloxy)-3-methylbutanedioate?
The canonical SMILES for diethyl 2-(2-methoxypropan-2-yloxy)-3-methylbutanedioate is CCOC(=O)C(C)C(OC(C)(C)OC)C(=O)OCC.
What is the InChIKey of diethyl 2-(2-methoxypropan-2-yloxy)-3-methylbutanedioate?
The InChIKey is CZWLZNHQNLVANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O6/c1-7-17-11(14)9(3)10(12(15)18-8-2)19-13(4,5)16-6/h9-10H,7-8H2,1-6H3.
What are the key properties of diethyl 2-(2-methoxypropan-2-yloxy)-3-methylbutanedioate?
diethyl 2-(2-methoxypropan-2-yloxy)-3-methylbutanedioate has a molecular weight of 276.33 g/mol, XLogP of 1.52, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-(2-methoxypropan-2-yloxy)-3-methylbutanedioate is sourced from PubChem (CID 559227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).