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

C17H36O4Si2 — CID 14435999

IUPACdimethyl 2-butyl-2,4-bis(trimethylsilyl)pentanedioate
SMILESCCCCC(CC(C(=O)OC)[Si](C)(C)C)(C(=O)OC)[Si](C)(C)C
InChIInChI=1S/C17H36O4Si2/c1-10-11-12-17(16(19)21-3,23(7,8)9)13-14(15(18)20-2)22(4,5)6/h14H,10-13H2,1-9H3
InChIKeyBDGGIPRHWXMPAW-UHFFFAOYSA-N
MW360.64 g/mol
LogP4.70
Rot. Bonds9

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

dimethyl 2-butyl-2,4-bis(trimethylsilyl)pentanedioate (PubChem CID 14435999) has the molecular formula C17H36O4Si2 and a molecular weight of 360.64 g/mol. Its IUPAC name is dimethyl 2-butyl-2,4-bis(trimethylsilyl)pentanedioate.

Molecular Properties

Compound Namedimethyl 2-butyl-2,4-bis(trimethylsilyl)pentanedioate
PubChem CID14435999
Molecular FormulaC17H36O4Si2
Molecular Weight360.64 g/mol
Exact Mass360.22
IUPAC Namedimethyl 2-butyl-2,4-bis(trimethylsilyl)pentanedioate
SMILESCCCCC(CC(C(=O)OC)[Si](C)(C)C)(C(=O)OC)[Si](C)(C)C
InChIInChI=1S/C17H36O4Si2/c1-10-11-12-17(16(19)21-3,23(7,8)9)13-14(15(18)20-2)22(4,5)6/h14H,10-13H2,1-9H3
InChIKeyBDGGIPRHWXMPAW-UHFFFAOYSA-N
XLogP4.70
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.64
LogP ≤ 54.70
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

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-(3-methylbutyl)-2,4-bis(trimethylsilyl)pentanedioate
CID 14436003
Dimethyl 2-(2-methylpropyl)-2,4-bis(trimethylsilyl)pentanedioate
CID 14436005
Methyl 1,4,14-tetradecanetrioate
CID 91692688
1,3,5-Pentanetricarboxylic acid tris(trimethylsilyl) ester
CID 101618131
7-Ethoxy-2-ethyl-4-[[[ethyl(dimethyl)silyl]oxy-dimethylsilyl]methoxycarbonyl]-2,4,6,6-tetramethyl-7-oxoheptanoic acid
CID 22982942
CID 23514798
CID 23514798
Dimethyl 4-[4-[[dimethyl(trimethylsilyl)silyl]oxy-dimethylsilyl]-3,3-dimethylbutyl]-2-ethyl-2-methylpentanedioate
CID 54420260
5-O-[4-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]butyl] 3-O-methyl 1-O-octadecyl 1,1,3-trimethylhexane-1,3,5-tricarboxylate
CID 57583291
5-O-butyl 1-O-[3-[dimethyl(trimethylsilyloxy)silyl]propyl] 3-O-(3-ethylheptyl) 7-O-methyl 1,1,5,7-tetramethylnonane-1,3,5,7-tetracarboxylate
CID 58078850

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-butyl-2,4-bis(trimethylsilyl)pentanedioate?
The IUPAC name of dimethyl 2-butyl-2,4-bis(trimethylsilyl)pentanedioate (CID 14435999) is dimethyl 2-butyl-2,4-bis(trimethylsilyl)pentanedioate.
What is the SMILES notation for dimethyl 2-butyl-2,4-bis(trimethylsilyl)pentanedioate?
The canonical SMILES for dimethyl 2-butyl-2,4-bis(trimethylsilyl)pentanedioate is CCCCC(CC(C(=O)OC)[Si](C)(C)C)(C(=O)OC)[Si](C)(C)C.
What is the InChIKey of dimethyl 2-butyl-2,4-bis(trimethylsilyl)pentanedioate?
The InChIKey is BDGGIPRHWXMPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O4Si2/c1-10-11-12-17(16(19)21-3,23(7,8)9)13-14(15(18)20-2)22(4,5)6/h14H,10-13H2,1-9H3.
What are the key properties of dimethyl 2-butyl-2,4-bis(trimethylsilyl)pentanedioate?
dimethyl 2-butyl-2,4-bis(trimethylsilyl)pentanedioate has a molecular weight of 360.64 g/mol, XLogP of 4.70, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-butyl-2,4-bis(trimethylsilyl)pentanedioate is sourced from PubChem (CID 14435999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).