dimethyl 2-(2-methylpropyl)-2,4-bis(trimethylsilyl)pentanedioate

C17H36O4Si2 — CID 14436005

IUPACdimethyl 2-(2-methylpropyl)-2,4-bis(trimethylsilyl)pentanedioate
SMILESCOC(=O)C(CC(CC(C)C)(C(=O)OC)[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C17H36O4Si2/c1-13(2)11-17(16(19)21-4,23(8,9)10)12-14(15(18)20-3)22(5,6)7/h13-14H,11-12H2,1-10H3
InChIKeyIGWMRKTUWFQWOU-UHFFFAOYSA-N
MW360.64 g/mol
LogP4.56
Rot. Bonds8

About dimethyl 2-(2-methylpropyl)-2,4-bis(trimethylsilyl)pentanedioate

dimethyl 2-(2-methylpropyl)-2,4-bis(trimethylsilyl)pentanedioate (PubChem CID 14436005) has the molecular formula C17H36O4Si2 and a molecular weight of 360.64 g/mol. Its IUPAC name is dimethyl 2-(2-methylpropyl)-2,4-bis(trimethylsilyl)pentanedioate.

Molecular Properties

Compound Namedimethyl 2-(2-methylpropyl)-2,4-bis(trimethylsilyl)pentanedioate
PubChem CID14436005
Molecular FormulaC17H36O4Si2
Molecular Weight360.64 g/mol
Exact Mass360.22
IUPAC Namedimethyl 2-(2-methylpropyl)-2,4-bis(trimethylsilyl)pentanedioate
SMILESCOC(=O)C(CC(CC(C)C)(C(=O)OC)[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C17H36O4Si2/c1-13(2)11-17(16(19)21-4,23(8,9)10)12-14(15(18)20-3)22(5,6)7/h13-14H,11-12H2,1-10H3
InChIKeyIGWMRKTUWFQWOU-UHFFFAOYSA-N
XLogP4.56
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.64
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

Hexane-1,3-dicarboxylic acid, bis(trimethylsilyl) ester
CID 523702
ethyl (4S,5S,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,6-dimethylheptanoate
CID 134845346
methyl (4R,6S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(triethylsilyloxymethyl)-6-trimethylsilyloxyoctanoate
CID 134872147
Glutaric acid, 2-tetradecyl-, dimethyl ester
CID 594688
Dimethyl 2-ethyl-2,4-bis(trimethylsilyl)pentanedioate
CID 14435995
Dimethyl 2-butyl-2,4-bis(trimethylsilyl)pentanedioate
CID 14435999
Dimethyl 2-(3-methylbutyl)-2,4-bis(trimethylsilyl)pentanedioate
CID 14436003
Methyl 1,4,14-tetradecanetrioate
CID 91692688
1,3,5-Pentanetricarboxylic acid tris(trimethylsilyl) ester
CID 101618131
CID 23514798
CID 23514798
Tetramethyl tetradecane-1,6,8,14-tetracarboxylate
CID 54012981
Dimethyl 4-[4-[[dimethyl(trimethylsilyl)silyl]oxy-dimethylsilyl]-3,3-dimethylbutyl]-2-ethyl-2-methylpentanedioate
CID 54420260

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-(2-methylpropyl)-2,4-bis(trimethylsilyl)pentanedioate?
The IUPAC name of dimethyl 2-(2-methylpropyl)-2,4-bis(trimethylsilyl)pentanedioate (CID 14436005) is dimethyl 2-(2-methylpropyl)-2,4-bis(trimethylsilyl)pentanedioate.
What is the SMILES notation for dimethyl 2-(2-methylpropyl)-2,4-bis(trimethylsilyl)pentanedioate?
The canonical SMILES for dimethyl 2-(2-methylpropyl)-2,4-bis(trimethylsilyl)pentanedioate is COC(=O)C(CC(CC(C)C)(C(=O)OC)[Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of dimethyl 2-(2-methylpropyl)-2,4-bis(trimethylsilyl)pentanedioate?
The InChIKey is IGWMRKTUWFQWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O4Si2/c1-13(2)11-17(16(19)21-4,23(8,9)10)12-14(15(18)20-3)22(5,6)7/h13-14H,11-12H2,1-10H3.
What are the key properties of dimethyl 2-(2-methylpropyl)-2,4-bis(trimethylsilyl)pentanedioate?
dimethyl 2-(2-methylpropyl)-2,4-bis(trimethylsilyl)pentanedioate has a molecular weight of 360.64 g/mol, XLogP of 4.56, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-(2-methylpropyl)-2,4-bis(trimethylsilyl)pentanedioate is sourced from PubChem (CID 14436005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).