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

C15H32O4Si2 — CID 14435995

IUPACdimethyl 2-ethyl-2,4-bis(trimethylsilyl)pentanedioate
SMILESCCC(CC(C(=O)OC)[Si](C)(C)C)(C(=O)OC)[Si](C)(C)C
InChIInChI=1S/C15H32O4Si2/c1-10-15(14(17)19-3,21(7,8)9)11-12(13(16)18-2)20(4,5)6/h12H,10-11H2,1-9H3
InChIKeyJFQRZCBZNUOWDF-UHFFFAOYSA-N
MW332.59 g/mol
LogP3.92
Rot. Bonds7

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

dimethyl 2-ethyl-2,4-bis(trimethylsilyl)pentanedioate (PubChem CID 14435995) has the molecular formula C15H32O4Si2 and a molecular weight of 332.59 g/mol. Its IUPAC name is dimethyl 2-ethyl-2,4-bis(trimethylsilyl)pentanedioate.

Molecular Properties

Compound Namedimethyl 2-ethyl-2,4-bis(trimethylsilyl)pentanedioate
PubChem CID14435995
Molecular FormulaC15H32O4Si2
Molecular Weight332.59 g/mol
Exact Mass332.18
IUPAC Namedimethyl 2-ethyl-2,4-bis(trimethylsilyl)pentanedioate
SMILESCCC(CC(C(=O)OC)[Si](C)(C)C)(C(=O)OC)[Si](C)(C)C
InChIInChI=1S/C15H32O4Si2/c1-10-15(14(17)19-3,21(7,8)9)11-12(13(16)18-2)20(4,5)6/h12H,10-11H2,1-9H3
InChIKeyJFQRZCBZNUOWDF-UHFFFAOYSA-N
XLogP3.92
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.59
LogP ≤ 53.92
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

Dimethyl 2,4-bis(trimethylsilyl)-2-(2-trimethylsilylprop-2-enyl)pentanedioate
CID 10598027
Dimethyl 2-butyl-2,4-bis(trimethylsilyl)pentanedioate
CID 14435999
Dimethyl 2-(3-methylbutyl)-2,4-bis(trimethylsilyl)pentanedioate
CID 14436003
Dimethyl 2-(2-methylpropyl)-2,4-bis(trimethylsilyl)pentanedioate
CID 14436005
5-O-ethyl 1-O-methyl 2-methyl-2,4-bis(trimethylsilyl)pentanedioate
CID 14569488
1-O-methyl 5-O-(trimethoxysilylmethyl) 2-ethyl-2,4,4-trimethylpentanedioate
CID 20643559
1-O-methyl 5-O-(3-trimethylsilylpropyl) 4-ethyl-2,2,4-trimethylpentanedioate
CID 20729167
1-O-[3-[dimethyl(trimethylsilyloxy)silyl]propyl] 5-O-(2-methoxyethyl) 2-ethyl-2,4,4-trimethylpentanedioate
CID 53729023
1-O-tert-butyl 5-O-[3-tris(trimethylsilyloxy)silylpropyl] 2-ethyl-4-methylpentanedioate
CID 60125293
1-O-butyl 5-O-methyl (3R)-3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]pentanedioate
CID 88252818
1-O-butyl 5-O-ethyl (3R)-3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]pentanedioate
CID 89348221
1-O-[3-[[[[[[[[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl] 5-O-propyl 4-ethyl-2,2,4-trimethylpentanedioate
CID 141672581

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-ethyl-2,4-bis(trimethylsilyl)pentanedioate?
The IUPAC name of dimethyl 2-ethyl-2,4-bis(trimethylsilyl)pentanedioate (CID 14435995) is dimethyl 2-ethyl-2,4-bis(trimethylsilyl)pentanedioate.
What is the SMILES notation for dimethyl 2-ethyl-2,4-bis(trimethylsilyl)pentanedioate?
The canonical SMILES for dimethyl 2-ethyl-2,4-bis(trimethylsilyl)pentanedioate is CCC(CC(C(=O)OC)[Si](C)(C)C)(C(=O)OC)[Si](C)(C)C.
What is the InChIKey of dimethyl 2-ethyl-2,4-bis(trimethylsilyl)pentanedioate?
The InChIKey is JFQRZCBZNUOWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O4Si2/c1-10-15(14(17)19-3,21(7,8)9)11-12(13(16)18-2)20(4,5)6/h12H,10-11H2,1-9H3.
What are the key properties of dimethyl 2-ethyl-2,4-bis(trimethylsilyl)pentanedioate?
dimethyl 2-ethyl-2,4-bis(trimethylsilyl)pentanedioate has a molecular weight of 332.59 g/mol, XLogP of 3.92, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-ethyl-2,4-bis(trimethylsilyl)pentanedioate is sourced from PubChem (CID 14435995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).