8-[tert-butyl(diphenyl)silyl]oxy-7-[[tert-butyl(diphenyl)silyl]oxymethyl]octan-2-one

C41H54O3Si2 — CID 142754739

IUPAC8-[tert-butyl(diphenyl)silyl]oxy-7-[[tert-butyl(diphenyl)silyl]oxymethyl]octan-2-one
SMILESCC(=O)CCCCC(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C41H54O3Si2/c1-34(42)22-20-21-23-35(32-43-45(40(2,3)4,36-24-12-8-13-25-36)37-26-14-9-15-27-37)33-44-46(41(5,6)7,38-28-16-10-17-29-38)39-30-18-11-19-31-39/h8-19,24-31,35H,20-23,32-33H2,1-7H3
InChIKeyOPZCQKDILYNXAC-UHFFFAOYSA-N
MW651.05 g/mol
LogP7.91
Rot. Bonds15

About 8-[tert-butyl(diphenyl)silyl]oxy-7-[[tert-butyl(diphenyl)silyl]oxymethyl]octan-2-one

8-[tert-butyl(diphenyl)silyl]oxy-7-[[tert-butyl(diphenyl)silyl]oxymethyl]octan-2-one (PubChem CID 142754739) has the molecular formula C41H54O3Si2 and a molecular weight of 651.05 g/mol. Its IUPAC name is 8-[tert-butyl(diphenyl)silyl]oxy-7-[[tert-butyl(diphenyl)silyl]oxymethyl]octan-2-one.

Molecular Properties

Compound Name8-[tert-butyl(diphenyl)silyl]oxy-7-[[tert-butyl(diphenyl)silyl]oxymethyl]octan-2-one
PubChem CID142754739
Molecular FormulaC41H54O3Si2
Molecular Weight651.05 g/mol
Exact Mass650.36
IUPAC Name8-[tert-butyl(diphenyl)silyl]oxy-7-[[tert-butyl(diphenyl)silyl]oxymethyl]octan-2-one
SMILESCC(=O)CCCCC(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C41H54O3Si2/c1-34(42)22-20-21-23-35(32-43-45(40(2,3)4,36-24-12-8-13-25-36)37-26-14-9-15-27-37)33-44-46(41(5,6)7,38-28-16-10-17-29-38)39-30-18-11-19-31-39/h8-19,24-31,35H,20-23,32-33H2,1-7H3
InChIKeyOPZCQKDILYNXAC-UHFFFAOYSA-N
XLogP7.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.05
LogP ≤ 57.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

8-[tert-butyl(diphenyl)silyl]oxy-7-[[tert-butyl(diphenyl)silyl]oxymethyl]-7-fluorooctan-2-one
CID 142348320
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-2-hydroxynonan-4-one
CID 11037048
methyl (4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-hydroxypentanoate
CID 11025490
(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropanal
CID 11348036
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-5-methylhex-5-en-2-ol
CID 16736189
tert-butyl-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(1,3-dioxolan-2-yl)butoxy]-diphenylsilane
CID 10439261
methyl (4R,6S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-hydroxy-6-(hydroxymethyl)octanoate
CID 58905605
3-[tert-butyl(diphenyl)silyl]oxy-2-phenylpropanoic acid
CID 168947861
(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-4-en-1-ol;(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-4-en-1-ol
CID 160880353
(6R)-10-[tert-butyl(diphenyl)silyl]oxy-6-tri(propan-2-yl)silyloxydecane-2,8-dione
CID 71480534
[(2S,3S,7R)-8-[tert-butyl(diphenyl)silyl]oxy-3,7-dimethyloctan-2-yl] acetate
CID 10789919

Frequently Asked Questions

What is the IUPAC name of 8-[tert-butyl(diphenyl)silyl]oxy-7-[[tert-butyl(diphenyl)silyl]oxymethyl]octan-2-one?
The IUPAC name of 8-[tert-butyl(diphenyl)silyl]oxy-7-[[tert-butyl(diphenyl)silyl]oxymethyl]octan-2-one (CID 142754739) is 8-[tert-butyl(diphenyl)silyl]oxy-7-[[tert-butyl(diphenyl)silyl]oxymethyl]octan-2-one.
What is the SMILES notation for 8-[tert-butyl(diphenyl)silyl]oxy-7-[[tert-butyl(diphenyl)silyl]oxymethyl]octan-2-one?
The canonical SMILES for 8-[tert-butyl(diphenyl)silyl]oxy-7-[[tert-butyl(diphenyl)silyl]oxymethyl]octan-2-one is CC(=O)CCCCC(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of 8-[tert-butyl(diphenyl)silyl]oxy-7-[[tert-butyl(diphenyl)silyl]oxymethyl]octan-2-one?
The InChIKey is OPZCQKDILYNXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H54O3Si2/c1-34(42)22-20-21-23-35(32-43-45(40(2,3)4,36-24-12-8-13-25-36)37-26-14-9-15-27-37)33-44-46(41(5,6)7,38-28-16-10-17-29-38)39-30-18-11-19-31-39/h8-19,24-31,35H,20-23,32-33H2,1-7H3.
What are the key properties of 8-[tert-butyl(diphenyl)silyl]oxy-7-[[tert-butyl(diphenyl)silyl]oxymethyl]octan-2-one?
8-[tert-butyl(diphenyl)silyl]oxy-7-[[tert-butyl(diphenyl)silyl]oxymethyl]octan-2-one has a molecular weight of 651.05 g/mol, XLogP of 7.91, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[tert-butyl(diphenyl)silyl]oxy-7-[[tert-butyl(diphenyl)silyl]oxymethyl]octan-2-one is sourced from PubChem (CID 142754739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).