[tert-butyl(dimethyl)silyl] 3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylpentanoate

C24H54O4Si3 — CID 553829

IUPAC[tert-butyl(dimethyl)silyl] 3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylpentanoate
SMILESCC(CCO[Si](C)(C)C(C)(C)C)(CC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H54O4Si3/c1-21(2,3)29(11,12)26-18-17-24(10,28-31(15,16)23(7,8)9)19-20(25)27-30(13,14)22(4,5)6/h17-19H2,1-16H3
InChIKeyNIHKOZDFLYTIJH-UHFFFAOYSA-N
MW490.95 g/mol
LogP8.12
Rot. Bonds9

About [tert-butyl(dimethyl)silyl] 3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylpentanoate

[tert-butyl(dimethyl)silyl] 3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylpentanoate (PubChem CID 553829) has the molecular formula C24H54O4Si3 and a molecular weight of 490.95 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] 3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylpentanoate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] 3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylpentanoate
PubChem CID553829
Molecular FormulaC24H54O4Si3
Molecular Weight490.95 g/mol
Exact Mass490.33
IUPAC Name[tert-butyl(dimethyl)silyl] 3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylpentanoate
SMILESCC(CCO[Si](C)(C)C(C)(C)C)(CC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H54O4Si3/c1-21(2,3)29(11,12)26-18-17-24(10,28-31(15,16)23(7,8)9)19-20(25)27-30(13,14)22(4,5)6/h17-19H2,1-16H3
InChIKeyNIHKOZDFLYTIJH-UHFFFAOYSA-N
XLogP8.12
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.95
LogP ≤ 58.12
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

Pentanedioic acid, 3-methyl-3-[(trimethylsilyl)oxy]-, bis(trimethylsilyl) ester
CID 521668
2,4-Dodeoxy-3-C-methylpentonic acid, tris-TMS
CID 523315
3-Hydroxy-3-methylglutarate, TBDMS
CID 552407
1-O-[tert-butyl(dimethyl)silyl] 5-O-methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanedioate
CID 10787430
methyl (2S,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpentanoate
CID 10938013
C-(3-Hydroxypropyl)glyceraric acid, TMS
CID 523390
3-Hydroxyglutaric acid, triTBDMS
CID 6430555
Mevalonolactone TBDMS
CID 6430568
Mevalonic acid, TMS
CID 91748333
Trimethylsilyl 3,5-bis(trimethylsilyloxy)pentanoate
CID 91753758
2-Methyl-3-ethyl-3-hydroxyglutaric acid, tris(trimethylsilyl)-
CID 552440
2,3,4-Trimethyl-3-hydroxyglutaric acid, O,O',O'-tris9trimethylsilyl)-
CID 552441

Frequently Asked Questions

What is the IUPAC name of [tert-butyl(dimethyl)silyl] 3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylpentanoate?
The IUPAC name of [tert-butyl(dimethyl)silyl] 3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylpentanoate (CID 553829) is [tert-butyl(dimethyl)silyl] 3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylpentanoate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] 3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylpentanoate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] 3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylpentanoate is CC(CCO[Si](C)(C)C(C)(C)C)(CC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [tert-butyl(dimethyl)silyl] 3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylpentanoate?
The InChIKey is NIHKOZDFLYTIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H54O4Si3/c1-21(2,3)29(11,12)26-18-17-24(10,28-31(15,16)23(7,8)9)19-20(25)27-30(13,14)22(4,5)6/h17-19H2,1-16H3.
What are the key properties of [tert-butyl(dimethyl)silyl] 3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylpentanoate?
[tert-butyl(dimethyl)silyl] 3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylpentanoate has a molecular weight of 490.95 g/mol, XLogP of 8.12, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] 3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylpentanoate is sourced from PubChem (CID 553829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).