propan-2-yl 5-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-4-methylpentanoate

C21H46O4Si2 — CID 156726810

IUPACpropan-2-yl 5-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-4-methylpentanoate
SMILESCC(CCC(=O)OC(C)C)CO[Si](C)(CO[Si](C)(C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C21H46O4Si2/c1-17(2)25-19(22)14-13-18(3)15-23-27(12,21(7,8)9)16-24-26(10,11)20(4,5)6/h17-18H,13-16H2,1-12H3
InChIKeyGEVUEBHWWRJMNA-UHFFFAOYSA-N
MW418.77 g/mol
LogP6.31
Rot. Bonds10

About propan-2-yl 5-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-4-methylpentanoate

propan-2-yl 5-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-4-methylpentanoate (PubChem CID 156726810) has the molecular formula C21H46O4Si2 and a molecular weight of 418.77 g/mol. Its IUPAC name is propan-2-yl 5-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-4-methylpentanoate.

Molecular Properties

Compound Namepropan-2-yl 5-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-4-methylpentanoate
PubChem CID156726810
Molecular FormulaC21H46O4Si2
Molecular Weight418.77 g/mol
Exact Mass418.29
IUPAC Namepropan-2-yl 5-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-4-methylpentanoate
SMILESCC(CCC(=O)OC(C)C)CO[Si](C)(CO[Si](C)(C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C21H46O4Si2/c1-17(2)25-19(22)14-13-18(3)15-23-27(12,21(7,8)9)16-24-26(10,11)20(4,5)6/h17-18H,13-16H2,1-12H3
InChIKeyGEVUEBHWWRJMNA-UHFFFAOYSA-N
XLogP6.31
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.77
LogP ≤ 56.31
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

methyl (2S,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpentanoate
CID 10938013
5-O-ethyl 1-O-methyl 2-methyl-2,4-bis(trimethylsilyl)pentanedioate
CID 14569488
CID 10982347
CID 10982347
methyl (4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoate
CID 11737070
3-[Hydroxy(dimethoxy)silyl]propyl 4-ethoxy-2-methyl-5-propoxypentanoate
CID 21136752
3-[[3-(4-Ethoxy-2-methyl-5-propoxypentanoyl)oxypropyl-dimethylsilyl]oxy-dimethylsilyl]propyl 4-ethoxy-2-methyl-5-propoxypentanoate
CID 23527397
3-[Hydroxy(dimethyl)silyl]propyl 4-ethoxy-2-methyl-5-propoxypentanoate
CID 23527398
3-Trimethylsilylpropyl 4-ethoxy-2-methyl-5-propoxypentanoate
CID 23527399
3-Trimethoxysilylpropyl 4-methoxy-5-(2-methoxyethoxy)-2-methylpentanoate
CID 23594393
[5-[3-[Tert-butyl(dimethyl)silyl]oxypropoxy]-5-oxopentyl] 5-methoxypentanoate
CID 58454753
1-O-[3-[dimethyl(trimethylsilyloxy)silyl]propyl] 5-O-[2-(2-methoxyethoxy)ethyl] 2,2,4,4-tetramethylpentanedioate
CID 59046597
1-O-tert-butyl 5-O-[3-tris(trimethylsilyloxy)silylpropyl] 2-ethyl-4-methylpentanedioate
CID 60125293

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 5-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-4-methylpentanoate?
The IUPAC name of propan-2-yl 5-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-4-methylpentanoate (CID 156726810) is propan-2-yl 5-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-4-methylpentanoate.
What is the SMILES notation for propan-2-yl 5-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-4-methylpentanoate?
The canonical SMILES for propan-2-yl 5-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-4-methylpentanoate is CC(CCC(=O)OC(C)C)CO[Si](C)(CO[Si](C)(C)C(C)(C)C)C(C)(C)C.
What is the InChIKey of propan-2-yl 5-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-4-methylpentanoate?
The InChIKey is GEVUEBHWWRJMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H46O4Si2/c1-17(2)25-19(22)14-13-18(3)15-23-27(12,21(7,8)9)16-24-26(10,11)20(4,5)6/h17-18H,13-16H2,1-12H3.
What are the key properties of propan-2-yl 5-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-4-methylpentanoate?
propan-2-yl 5-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-4-methylpentanoate has a molecular weight of 418.77 g/mol, XLogP of 6.31, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 5-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-4-methylpentanoate is sourced from PubChem (CID 156726810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).