bis(trimethylsilyl) 3-hydroxy-3-methylpentanedioate

C12H26O5Si2 — CID 91749589

IUPACbis(trimethylsilyl) 3-hydroxy-3-methylpentanedioate
SMILESCC(O)(CC(=O)O[Si](C)(C)C)CC(=O)O[Si](C)(C)C
InChIInChI=1S/C12H26O5Si2/c1-12(15,8-10(13)16-18(2,3)4)9-11(14)17-19(5,6)7/h15H,8-9H2,1-7H3
InChIKeySNCBVZDILOGZGK-UHFFFAOYSA-N
MW306.51 g/mol
LogP2.27
Rot. Bonds6

About bis(trimethylsilyl) 3-hydroxy-3-methylpentanedioate

bis(trimethylsilyl) 3-hydroxy-3-methylpentanedioate (PubChem CID 91749589) has the molecular formula C12H26O5Si2 and a molecular weight of 306.51 g/mol. Its IUPAC name is bis(trimethylsilyl) 3-hydroxy-3-methylpentanedioate.

Molecular Properties

Compound Namebis(trimethylsilyl) 3-hydroxy-3-methylpentanedioate
PubChem CID91749589
Molecular FormulaC12H26O5Si2
Molecular Weight306.51 g/mol
Exact Mass306.13
IUPAC Namebis(trimethylsilyl) 3-hydroxy-3-methylpentanedioate
SMILESCC(O)(CC(=O)O[Si](C)(C)C)CC(=O)O[Si](C)(C)C
InChIInChI=1S/C12H26O5Si2/c1-12(15,8-10(13)16-18(2,3)4)9-11(14)17-19(5,6)7/h15H,8-9H2,1-7H3
InChIKeySNCBVZDILOGZGK-UHFFFAOYSA-N
XLogP2.27
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.51
LogP ≤ 52.27
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
2,4-Dodeoxy-3-C-methylpentonic acid, tris-TMS
CID 523315
3-Hydroxy-3-methylglutarate, TBDMS
CID 552407
Citric Acid, tris(trimethylsilyl) ester
CID 91696760
Mevalonic acid, TMS
CID 91748333
3-Trimethylsilyloxy-3-methylvaleric acid, trimethylsilyl ester
CID 553013
3-Ethyl-3-hydroxyglutaric acid tri(trimethylsilyl) deriv.
CID 553131
3-Hydroxy-3-methylglutaric acid, bis(tert-butyldimethylsilyl) ester
CID 91697368
2-Trimethylsilyloxypropane-1,2,3-tricarboxylic acid
CID 57446920
CID 58810969
CID 58810969
3-[2-[Dimethyl(trimethylsilyloxy)silyl]ethyl]pentanedioic acid
CID 59128080
3-Ethyl-3-triethylsilyloxypentanoic acid
CID 87444669

Frequently Asked Questions

What is the IUPAC name of bis(trimethylsilyl) 3-hydroxy-3-methylpentanedioate?
The IUPAC name of bis(trimethylsilyl) 3-hydroxy-3-methylpentanedioate (CID 91749589) is bis(trimethylsilyl) 3-hydroxy-3-methylpentanedioate.
What is the SMILES notation for bis(trimethylsilyl) 3-hydroxy-3-methylpentanedioate?
The canonical SMILES for bis(trimethylsilyl) 3-hydroxy-3-methylpentanedioate is CC(O)(CC(=O)O[Si](C)(C)C)CC(=O)O[Si](C)(C)C.
What is the InChIKey of bis(trimethylsilyl) 3-hydroxy-3-methylpentanedioate?
The InChIKey is SNCBVZDILOGZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O5Si2/c1-12(15,8-10(13)16-18(2,3)4)9-11(14)17-19(5,6)7/h15H,8-9H2,1-7H3.
What are the key properties of bis(trimethylsilyl) 3-hydroxy-3-methylpentanedioate?
bis(trimethylsilyl) 3-hydroxy-3-methylpentanedioate has a molecular weight of 306.51 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trimethylsilyl) 3-hydroxy-3-methylpentanedioate is sourced from PubChem (CID 91749589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).