bis[tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxypentanedioate

C23H50O5Si3 — CID 6430555

IUPACbis[tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxypentanedioate
SMILESCC(C)(C)[Si](C)(C)OC(=O)CC(CC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H50O5Si3/c1-21(2,3)29(10,11)26-18(16-19(24)27-30(12,13)22(4,5)6)17-20(25)28-31(14,15)23(7,8)9/h18H,16-17H2,1-15H3
InChIKeyHEAUNLFVZJDZGH-UHFFFAOYSA-N
MW490.91 g/mol
LogP7.25
Rot. Bonds8

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

bis[tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxypentanedioate (PubChem CID 6430555) has the molecular formula C23H50O5Si3 and a molecular weight of 490.91 g/mol. Its IUPAC name is bis[tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxypentanedioate.

Molecular Properties

Compound Namebis[tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxypentanedioate
PubChem CID6430555
Molecular FormulaC23H50O5Si3
Molecular Weight490.91 g/mol
Exact Mass490.30
IUPAC Namebis[tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxypentanedioate
SMILESCC(C)(C)[Si](C)(C)OC(=O)CC(CC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H50O5Si3/c1-21(2,3)29(10,11)26-18(16-19(24)27-30(12,13)22(4,5)6)17-20(25)28-31(14,15)23(7,8)9/h18H,16-17H2,1-15H3
InChIKeyHEAUNLFVZJDZGH-UHFFFAOYSA-N
XLogP7.25
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.91
LogP ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze bis[tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxypentanedioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Bis[tert-butyl(dimethyl)silyl] pentanedioate
CID 552518
(R)-tert-Butyl ethyl 3-(tert-butyldimethylsiloxy)glutarate
CID 25034097
(4R,5R)-4-((tert-Butyldimethylsilyl)oxy)-5-(((tert-butyldimethylsilyl)oxy)methyl)dihydrofuran-2(3H)-one
CID 134973989
2,4-Dodeoxy-3-C-methylpentonic acid, tris-TMS
CID 523315
3-Hydroxy-3-methylglutarate, TBDMS
CID 552407
tert-Butyl(dimethyl)silyl 3-([tert-butyl(dimethyl)silyl]oxy)butanoate
CID 553208
Mevalonic acid, triTBDMS
CID 553829
Dimethyl 3-([tert-butyl(dimethyl)silyl]oxy)pentanedioate
CID 560716
Diethyl 3-(tert-Butyldimethylsilyloxy)glutarate
CID 13327289
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
Methyl (3R)-3-(((1,1-dimethylethyl)dimethylsilyl)oxy)-5-oxopentanoate
CID 11065195

Frequently Asked Questions

What is the IUPAC name of bis[tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxypentanedioate?
The IUPAC name of bis[tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxypentanedioate (CID 6430555) is bis[tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxypentanedioate.
What is the SMILES notation for bis[tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxypentanedioate?
The canonical SMILES for bis[tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxypentanedioate is CC(C)(C)[Si](C)(C)OC(=O)CC(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]oxypentanedioate?
The InChIKey is HEAUNLFVZJDZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H50O5Si3/c1-21(2,3)29(10,11)26-18(16-19(24)27-30(12,13)22(4,5)6)17-20(25)28-31(14,15)23(7,8)9/h18H,16-17H2,1-15H3.
What are the key properties of bis[tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxypentanedioate?
bis[tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxypentanedioate has a molecular weight of 490.91 g/mol, XLogP of 7.25, 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]oxypentanedioate is sourced from PubChem (CID 6430555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).