1-O-[tert-butyl(dimethyl)silyl] 5-O-methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanedioate

C19H40O5Si2 — CID 10787430

IUPAC1-O-[tert-butyl(dimethyl)silyl] 5-O-methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanedioate
SMILESCOC(=O)C[C@](C)(CC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H40O5Si2/c1-17(2,3)25(9,10)23-16(21)14-19(7,13-15(20)22-8)24-26(11,12)18(4,5)6/h13-14H2,1-12H3/t19-/m1/s1
InChIKeyMKHFHIIKUDBOQG-LJQANCHMSA-N
MW404.70 g/mol
LogP5.27
Rot. Bonds7

About 1-O-[tert-butyl(dimethyl)silyl] 5-O-methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanedioate

1-O-[tert-butyl(dimethyl)silyl] 5-O-methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanedioate (PubChem CID 10787430) has the molecular formula C19H40O5Si2 and a molecular weight of 404.70 g/mol. Its IUPAC name is 1-O-[tert-butyl(dimethyl)silyl] 5-O-methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanedioate.

Molecular Properties

Compound Name1-O-[tert-butyl(dimethyl)silyl] 5-O-methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanedioate
PubChem CID10787430
Molecular FormulaC19H40O5Si2
Molecular Weight404.70 g/mol
Exact Mass404.24
IUPAC Name1-O-[tert-butyl(dimethyl)silyl] 5-O-methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanedioate
SMILESCOC(=O)C[C@](C)(CC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H40O5Si2/c1-17(2,3)25(9,10)23-16(21)14-19(7,13-15(20)22-8)24-26(11,12)18(4,5)6/h13-14H2,1-12H3/t19-/m1/s1
InChIKeyMKHFHIIKUDBOQG-LJQANCHMSA-N
XLogP5.27
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.70
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-O-[tert-butyl(dimethyl)silyl] 5-O-methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanedioate with MolForge

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Related Compounds

(R)-tert-Butyl ethyl 3-(tert-butyldimethylsiloxy)glutarate
CID 25034097
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
Mevalonic acid, triTBDMS
CID 553829
methyl (2S,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpentanoate
CID 10938013
3-Hydroxyglutaric acid, triTBDMS
CID 6430555
Mevalonic acid, TMS
CID 91748333
2-Methyl-3-ethyl-3-hydroxyglutaric acid, tris(trimethylsilyl)-
CID 552440
2,3,4-Trimethyl-3-hydroxyglutaric acid, O,O',O'-tris9trimethylsilyl)-
CID 552441
2,3-Dimethyl-3-hydroxyglutaric acid, tris(trimethylsilyl)
CID 552447
3-Ethyl-3-hydroxyglutaric acid tri(trimethylsilyl) deriv.
CID 553131

Frequently Asked Questions

What is the IUPAC name of 1-O-[tert-butyl(dimethyl)silyl] 5-O-methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanedioate?
The IUPAC name of 1-O-[tert-butyl(dimethyl)silyl] 5-O-methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanedioate (CID 10787430) is 1-O-[tert-butyl(dimethyl)silyl] 5-O-methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanedioate.
What is the SMILES notation for 1-O-[tert-butyl(dimethyl)silyl] 5-O-methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanedioate?
The canonical SMILES for 1-O-[tert-butyl(dimethyl)silyl] 5-O-methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanedioate is COC(=O)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 1-O-[tert-butyl(dimethyl)silyl] 5-O-methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanedioate?
The InChIKey is MKHFHIIKUDBOQG-LJQANCHMSA-N. The full InChI is InChI=1S/C19H40O5Si2/c1-17(2,3)25(9,10)23-16(21)14-19(7,13-15(20)22-8)24-26(11,12)18(4,5)6/h13-14H2,1-12H3/t19-/m1/s1.
What are the key properties of 1-O-[tert-butyl(dimethyl)silyl] 5-O-methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanedioate?
1-O-[tert-butyl(dimethyl)silyl] 5-O-methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanedioate has a molecular weight of 404.70 g/mol, XLogP of 5.27, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-[tert-butyl(dimethyl)silyl] 5-O-methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanedioate is sourced from PubChem (CID 10787430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).