trimethylsilyl 3-methyl-3,5-bis(trimethylsilyloxy)pentanoate

C15H36O4Si3 — CID 523315

IUPACtrimethylsilyl 3-methyl-3,5-bis(trimethylsilyloxy)pentanoate
SMILESCC(CCO[Si](C)(C)C)(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C15H36O4Si3/c1-15(19-22(8,9)10,11-12-17-20(2,3)4)13-14(16)18-21(5,6)7/h11-13H2,1-10H3
InChIKeyHUAKLDAFGDRXAP-UHFFFAOYSA-N
MW364.71 g/mol
LogP4.61
Rot. Bonds9

About trimethylsilyl 3-methyl-3,5-bis(trimethylsilyloxy)pentanoate

trimethylsilyl 3-methyl-3,5-bis(trimethylsilyloxy)pentanoate (PubChem CID 523315) has the molecular formula C15H36O4Si3 and a molecular weight of 364.71 g/mol. Its IUPAC name is trimethylsilyl 3-methyl-3,5-bis(trimethylsilyloxy)pentanoate.

Molecular Properties

Compound Nametrimethylsilyl 3-methyl-3,5-bis(trimethylsilyloxy)pentanoate
PubChem CID523315
Molecular FormulaC15H36O4Si3
Molecular Weight364.71 g/mol
Exact Mass364.19
IUPAC Nametrimethylsilyl 3-methyl-3,5-bis(trimethylsilyloxy)pentanoate
SMILESCC(CCO[Si](C)(C)C)(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C15H36O4Si3/c1-15(19-22(8,9)10,11-12-17-20(2,3)4)13-14(16)18-21(5,6)7/h11-13H2,1-10H3
InChIKeyHUAKLDAFGDRXAP-UHFFFAOYSA-N
XLogP4.61
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.71
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-Hydroxyglutaric acid, tri-TMS
CID 523314
3-Hydroxyglutaric acid, triTBDMS
CID 6430555
Mevalonic acid, TMS
CID 91748333
3-Hydroxy-3-methylglutaric acid, TMS # 1
CID 91749589
Trimethylsilyl 3,5-bis(trimethylsilyloxy)pentanoate
CID 91753758
Ethyl 3-trimethylsilyloxy-3-methyl valerate
CID 552392
2-Methyl-3-ethyl-3-hydroxyglutaric acid, tris(trimethylsilyl)-
CID 552440
2,3,4-Trimethyl-3-hydroxyglutaric acid, O,O',O'-tris9trimethylsilyl)-
CID 552441

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 3-methyl-3,5-bis(trimethylsilyloxy)pentanoate?
The IUPAC name of trimethylsilyl 3-methyl-3,5-bis(trimethylsilyloxy)pentanoate (CID 523315) is trimethylsilyl 3-methyl-3,5-bis(trimethylsilyloxy)pentanoate.
What is the SMILES notation for trimethylsilyl 3-methyl-3,5-bis(trimethylsilyloxy)pentanoate?
The canonical SMILES for trimethylsilyl 3-methyl-3,5-bis(trimethylsilyloxy)pentanoate is CC(CCO[Si](C)(C)C)(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 3-methyl-3,5-bis(trimethylsilyloxy)pentanoate?
The InChIKey is HUAKLDAFGDRXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H36O4Si3/c1-15(19-22(8,9)10,11-12-17-20(2,3)4)13-14(16)18-21(5,6)7/h11-13H2,1-10H3.
What are the key properties of trimethylsilyl 3-methyl-3,5-bis(trimethylsilyloxy)pentanoate?
trimethylsilyl 3-methyl-3,5-bis(trimethylsilyloxy)pentanoate has a molecular weight of 364.71 g/mol, XLogP of 4.61, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 3-methyl-3,5-bis(trimethylsilyloxy)pentanoate is sourced from PubChem (CID 523315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).