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

C13H30O4Si2 — CID 553345

IUPACmethyl 3-methyl-3,5-bis(trimethylsilyloxy)pentanoate
SMILESCOC(=O)CC(C)(CCO[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C13H30O4Si2/c1-13(11-12(14)15-2,17-19(6,7)8)9-10-16-18(3,4)5/h9-11H2,1-8H3
InChIKeyKKMAJHUYGPAZQG-UHFFFAOYSA-N
MW306.55 g/mol
LogP3.40
Rot. Bonds8

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

methyl 3-methyl-3,5-bis(trimethylsilyloxy)pentanoate (PubChem CID 553345) has the molecular formula C13H30O4Si2 and a molecular weight of 306.55 g/mol. Its IUPAC name is methyl 3-methyl-3,5-bis(trimethylsilyloxy)pentanoate.

Molecular Properties

Compound Namemethyl 3-methyl-3,5-bis(trimethylsilyloxy)pentanoate
PubChem CID553345
Molecular FormulaC13H30O4Si2
Molecular Weight306.55 g/mol
Exact Mass306.17
IUPAC Namemethyl 3-methyl-3,5-bis(trimethylsilyloxy)pentanoate
SMILESCOC(=O)CC(C)(CCO[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C13H30O4Si2/c1-13(11-12(14)15-2,17-19(6,7)8)9-10-16-18(3,4)5/h9-11H2,1-8H3
InChIKeyKKMAJHUYGPAZQG-UHFFFAOYSA-N
XLogP3.40
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.55
LogP ≤ 53.40
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
2,4-Dodeoxy-3-C-methylpentonic acid, tris-TMS
CID 523315
Mevalonic lactone, trimethylsilyl
CID 528660
Mevalonic acid, triTBDMS
CID 553829
Dimethyl 3-([tert-butyl(dimethyl)silyl]oxy)pentanedioate
CID 560716
1-O-[tert-butyl(dimethyl)silyl] 5-O-methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanedioate
CID 10787430
Mevalonolactone, diTMS
CID 6430481
Pentanedioic acid, 3-methoxy, bis-trimethylsilyl ester
CID 91747825
Mevalonic acid, TMS
CID 91748333
Ethyl 3-trimethylsilyloxy-3-methyl valerate
CID 552392
3-Trimethylsilyloxy-3-methylvaleric acid, trimethylsilyl ester
CID 553013
3-Ethyl-3-hydroxyglutaric acid tri(trimethylsilyl) deriv.
CID 553131

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-3,5-bis(trimethylsilyloxy)pentanoate?
The IUPAC name of methyl 3-methyl-3,5-bis(trimethylsilyloxy)pentanoate (CID 553345) is methyl 3-methyl-3,5-bis(trimethylsilyloxy)pentanoate.
What is the SMILES notation for methyl 3-methyl-3,5-bis(trimethylsilyloxy)pentanoate?
The canonical SMILES for methyl 3-methyl-3,5-bis(trimethylsilyloxy)pentanoate is COC(=O)CC(C)(CCO[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of methyl 3-methyl-3,5-bis(trimethylsilyloxy)pentanoate?
The InChIKey is KKMAJHUYGPAZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30O4Si2/c1-13(11-12(14)15-2,17-19(6,7)8)9-10-16-18(3,4)5/h9-11H2,1-8H3.
What are the key properties of methyl 3-methyl-3,5-bis(trimethylsilyloxy)pentanoate?
methyl 3-methyl-3,5-bis(trimethylsilyloxy)pentanoate has a molecular weight of 306.55 g/mol, XLogP of 3.40, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-3,5-bis(trimethylsilyloxy)pentanoate is sourced from PubChem (CID 553345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).