cyclopentyl 5-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-4-methylpentanoate

C23H48O4Si2 — CID 156726807

IUPACcyclopentyl 5-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-4-methylpentanoate
SMILESCC(CCC(=O)OC1CCCC1)CO[Si](C)(CO[Si](C)(C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C23H48O4Si2/c1-19(15-16-21(24)27-20-13-11-12-14-20)17-25-29(10,23(5,6)7)18-26-28(8,9)22(2,3)4/h19-20H,11-18H2,1-10H3
InChIKeyLVKOAVWZIVKSIF-UHFFFAOYSA-N
MW444.81 g/mol
LogP6.84
Rot. Bonds10

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

cyclopentyl 5-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-4-methylpentanoate (PubChem CID 156726807) has the molecular formula C23H48O4Si2 and a molecular weight of 444.81 g/mol. Its IUPAC name is cyclopentyl 5-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-4-methylpentanoate.

Molecular Properties

Compound Namecyclopentyl 5-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-4-methylpentanoate
PubChem CID156726807
Molecular FormulaC23H48O4Si2
Molecular Weight444.81 g/mol
Exact Mass444.31
IUPAC Namecyclopentyl 5-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-4-methylpentanoate
SMILESCC(CCC(=O)OC1CCCC1)CO[Si](C)(CO[Si](C)(C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C23H48O4Si2/c1-19(15-16-21(24)27-20-13-11-12-14-20)17-25-29(10,23(5,6)7)18-26-28(8,9)22(2,3)4/h19-20H,11-18H2,1-10H3
InChIKeyLVKOAVWZIVKSIF-UHFFFAOYSA-N
XLogP6.84
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.81
LogP ≤ 56.84
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
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
Methyl 5-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-4-methylpentanoate
CID 156726762
Tert-butyl 5-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-4-methylpentanoate
CID 156726772
Ethyl 5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylpentanoate
CID 156726779
Ethyl 5-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-4-methylpentanoate
CID 156726782
Cyclopentyl 4-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-3-methylbutanoate
CID 156726802
Propan-2-yl 5-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-4-methylpentanoate
CID 156726810
Bis[4-[4-[3-[dimethyl(3-trimethylsilyloxysilylpropyl)silyl]oxysilylpropyl-dimethylsilyl]oxysilylbutyl-dimethylsilyl]oxysilylbutyl] 2-methylpentanedioate
CID 157469174
tert-butyl (3R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-3,4-dimethylpentanoate
CID 157923868

Frequently Asked Questions

What is the IUPAC name of cyclopentyl 5-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-4-methylpentanoate?
The IUPAC name of cyclopentyl 5-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-4-methylpentanoate (CID 156726807) is cyclopentyl 5-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-4-methylpentanoate.
What is the SMILES notation for cyclopentyl 5-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-4-methylpentanoate?
The canonical SMILES for cyclopentyl 5-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-4-methylpentanoate is CC(CCC(=O)OC1CCCC1)CO[Si](C)(CO[Si](C)(C)C(C)(C)C)C(C)(C)C.
What is the InChIKey of cyclopentyl 5-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-4-methylpentanoate?
The InChIKey is LVKOAVWZIVKSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48O4Si2/c1-19(15-16-21(24)27-20-13-11-12-14-20)17-25-29(10,23(5,6)7)18-26-28(8,9)22(2,3)4/h19-20H,11-18H2,1-10H3.
What are the key properties of cyclopentyl 5-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-4-methylpentanoate?
cyclopentyl 5-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-4-methylpentanoate has a molecular weight of 444.81 g/mol, XLogP of 6.84, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 5-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-4-methylpentanoate is sourced from PubChem (CID 156726807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).