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

C18H38O5Si2 — CID 91697368

IUPACbis[tert-butyl(dimethyl)silyl] 3-hydroxy-3-methylpentanedioate
SMILESCC(O)(CC(=O)O[Si](C)(C)C(C)(C)C)CC(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H38O5Si2/c1-16(2,3)24(8,9)22-14(19)12-18(7,21)13-15(20)23-25(10,11)17(4,5)6/h21H,12-13H2,1-11H3
InChIKeyJPROPNQQIFBCQY-UHFFFAOYSA-N
MW390.67 g/mol
LogP4.61
Rot. Bonds6

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

bis[tert-butyl(dimethyl)silyl] 3-hydroxy-3-methylpentanedioate (PubChem CID 91697368) has the molecular formula C18H38O5Si2 and a molecular weight of 390.67 g/mol. Its IUPAC name is bis[tert-butyl(dimethyl)silyl] 3-hydroxy-3-methylpentanedioate.

Molecular Properties

Compound Namebis[tert-butyl(dimethyl)silyl] 3-hydroxy-3-methylpentanedioate
PubChem CID91697368
Molecular FormulaC18H38O5Si2
Molecular Weight390.67 g/mol
Exact Mass390.23
IUPAC Namebis[tert-butyl(dimethyl)silyl] 3-hydroxy-3-methylpentanedioate
SMILESCC(O)(CC(=O)O[Si](C)(C)C(C)(C)C)CC(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H38O5Si2/c1-16(2,3)24(8,9)22-14(19)12-18(7,21)13-15(20)23-25(10,11)17(4,5)6/h21H,12-13H2,1-11H3
InChIKeyJPROPNQQIFBCQY-UHFFFAOYSA-N
XLogP4.61
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.67
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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
3-Hydroxy-3-methylglutarate, TBDMS
CID 552407
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-Hydroxy-3-methylglutaric acid, TMS # 1
CID 91749589
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
3-[2-[Methyl-bis(trimethylsilyloxy)silyl]ethyl]pentanedioic acid
CID 59128078
3-[2-[[Dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]ethyl]pentanedioic acid
CID 59128082
3-[2-[[[4-Carboxy-3-(carboxymethyl)butyl]-dimethylsilyl]oxy-dimethylsilyl]ethyl]pentanedioic acid
CID 59128085

Frequently Asked Questions

What is the IUPAC name of bis[tert-butyl(dimethyl)silyl] 3-hydroxy-3-methylpentanedioate?
The IUPAC name of bis[tert-butyl(dimethyl)silyl] 3-hydroxy-3-methylpentanedioate (CID 91697368) is bis[tert-butyl(dimethyl)silyl] 3-hydroxy-3-methylpentanedioate.
What is the SMILES notation for bis[tert-butyl(dimethyl)silyl] 3-hydroxy-3-methylpentanedioate?
The canonical SMILES for bis[tert-butyl(dimethyl)silyl] 3-hydroxy-3-methylpentanedioate is CC(O)(CC(=O)O[Si](C)(C)C(C)(C)C)CC(=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of bis[tert-butyl(dimethyl)silyl] 3-hydroxy-3-methylpentanedioate?
The InChIKey is JPROPNQQIFBCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O5Si2/c1-16(2,3)24(8,9)22-14(19)12-18(7,21)13-15(20)23-25(10,11)17(4,5)6/h21H,12-13H2,1-11H3.
What are the key properties of bis[tert-butyl(dimethyl)silyl] 3-hydroxy-3-methylpentanedioate?
bis[tert-butyl(dimethyl)silyl] 3-hydroxy-3-methylpentanedioate has a molecular weight of 390.67 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[tert-butyl(dimethyl)silyl] 3-hydroxy-3-methylpentanedioate is sourced from PubChem (CID 91697368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).