bis[tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanedioate

C24H52O5Si3 — CID 552407

IUPACbis[tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanedioate
SMILESCC(CC(=O)O[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/C24H52O5Si3/c1-21(2,3)30(11,12)27-19(25)17-24(10,29-32(15,16)23(7,8)9)18-20(26)28-31(13,14)22(4,5)6/h17-18H2,1-16H3
InChIKeyJINZCJWKPQVMQZ-UHFFFAOYSA-N
MW504.93 g/mol
LogP7.64
Rot. Bonds8

About bis[tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanedioate

bis[tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanedioate (PubChem CID 552407) has the molecular formula C24H52O5Si3 and a molecular weight of 504.93 g/mol. Its IUPAC name is bis[tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanedioate.

Molecular Properties

Compound Namebis[tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanedioate
PubChem CID552407
Molecular FormulaC24H52O5Si3
Molecular Weight504.93 g/mol
Exact Mass504.31
IUPAC Namebis[tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanedioate
SMILESCC(CC(=O)O[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/C24H52O5Si3/c1-21(2,3)30(11,12)27-19(25)17-24(10,29-32(15,16)23(7,8)9)18-20(26)28-31(13,14)22(4,5)6/h17-18H2,1-16H3
InChIKeyJINZCJWKPQVMQZ-UHFFFAOYSA-N
XLogP7.64
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.93
LogP ≤ 57.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,2,3-Propanetricarboxylic acid, 2-[(trimethylsilyl)oxy]-, tris(trimethylsilyl) ester
CID 553132
Bis[tert-butyl(dimethyl)silyl] pentanedioate
CID 552518
Pentanedioic acid, 3-methyl-3-[(trimethylsilyl)oxy]-, bis(trimethylsilyl) ester
CID 521668
2,4-Dodeoxy-3-C-methylpentonic acid, tris-TMS
CID 523315
1,2,3-Propanetricarboxylic acid, 2-[(tert-butyldimethylsilyl)oxy]-, tris(tert-butyldimethylsilyl) ester
CID 528571
Pentanedioic acid, 3-methyl-, bis(tert-butyldimethylsilyl) ester
CID 552443
Mevalonic acid, triTBDMS
CID 553829
1-O-[tert-butyl(dimethyl)silyl] 5-O-methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanedioate
CID 10787430
3-Hydroxyglutaric acid, triTBDMS
CID 6430555
Mevalonic acid, TMS
CID 91748333
3-Hydroxy-3-methylglutaric acid, TMS # 1
CID 91749589
2-Methyl-3-ethyl-3-hydroxyglutaric acid, tris(trimethylsilyl)-
CID 552440

Frequently Asked Questions

What is the IUPAC name of bis[tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanedioate?
The IUPAC name of bis[tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanedioate (CID 552407) is bis[tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanedioate.
What is the SMILES notation for bis[tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanedioate?
The canonical SMILES for bis[tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanedioate is CC(CC(=O)O[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 bis[tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanedioate?
The InChIKey is JINZCJWKPQVMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H52O5Si3/c1-21(2,3)30(11,12)27-19(25)17-24(10,29-32(15,16)23(7,8)9)18-20(26)28-31(13,14)22(4,5)6/h17-18H2,1-16H3.
What are the key properties of bis[tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanedioate?
bis[tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanedioate has a molecular weight of 504.93 g/mol, XLogP of 7.64, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanedioate is sourced from PubChem (CID 552407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).