tert-butyl-[5-[methyl(diphenyl)silyl]oxypent-3-ynoxy]-diphenylsilane

C34H38O2Si2 — CID 11082053

IUPACtert-butyl-[5-[methyl(diphenyl)silyl]oxypent-3-ynoxy]-diphenylsilane
SMILESCC(C)(C)[Si](OCCC#CCO[Si](C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H38O2Si2/c1-34(2,3)38(32-24-14-7-15-25-32,33-26-16-8-17-27-33)36-29-19-9-18-28-35-37(4,30-20-10-5-11-21-30)31-22-12-6-13-23-31/h5-8,10-17,20-27H,19,28-29H2,1-4H3
InChIKeyRWNPATZHTGNLRU-UHFFFAOYSA-N
MW534.85 g/mol
LogP5.36
Rot. Bonds9

About tert-butyl-[5-[methyl(diphenyl)silyl]oxypent-3-ynoxy]-diphenylsilane

tert-butyl-[5-[methyl(diphenyl)silyl]oxypent-3-ynoxy]-diphenylsilane (PubChem CID 11082053) has the molecular formula C34H38O2Si2 and a molecular weight of 534.85 g/mol. Its IUPAC name is tert-butyl-[5-[methyl(diphenyl)silyl]oxypent-3-ynoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[5-[methyl(diphenyl)silyl]oxypent-3-ynoxy]-diphenylsilane
PubChem CID11082053
Molecular FormulaC34H38O2Si2
Molecular Weight534.85 g/mol
Exact Mass534.24
IUPAC Nametert-butyl-[5-[methyl(diphenyl)silyl]oxypent-3-ynoxy]-diphenylsilane
SMILESCC(C)(C)[Si](OCCC#CCO[Si](C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H38O2Si2/c1-34(2,3)38(32-24-14-7-15-25-32,33-26-16-8-17-27-33)36-29-19-9-18-28-35-37(4,30-20-10-5-11-21-30)31-22-12-6-13-23-31/h5-8,10-17,20-27H,19,28-29H2,1-4H3
InChIKeyRWNPATZHTGNLRU-UHFFFAOYSA-N
XLogP5.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.85
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-hex-3-ynoxy-diphenylsilane
CID 10860665
7-[tert-butyl(diphenyl)silyl]oxyhept-4-yn-1-ol
CID 132916775
tert-butyl-[4-(3-methyloxiran-2-yl)but-3-ynoxy]-diphenylsilane
CID 73192940
methyl 5-[tert-butyl(diphenyl)silyl]oxypent-2-ynoate
CID 10926656
tert-butyl-diphenyl-tetradec-8-ynoxysilane
CID 90132306
6-[tert-butyl(diphenyl)silyl]oxy-1,1,1-trifluorohex-3-yn-2-one
CID 10644927
6-[8-[tert-butyl(diphenyl)silyl]oxyoct-5-ynyl]-4-hydroxypyran-2-one
CID 132916777
tert-butyl-(2-iodoethoxy)-diphenylsilane
CID 11269862
4-[tert-butyl(diphenyl)silyl]oxybut-2-ynyl methanesulfonate
CID 141229051
tert-butyl-but-3-ynoxy-diphenylsilane;but-3-yn-1-ol
CID 160529353
(3R)-7-[tert-butyl(diphenyl)silyl]oxy-1,1-dimethoxyhept-4-yn-3-ol
CID 24795141
2-[tert-butyl(diphenyl)silyl]oxy-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]ethanamine
CID 11146292

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[5-[methyl(diphenyl)silyl]oxypent-3-ynoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[5-[methyl(diphenyl)silyl]oxypent-3-ynoxy]-diphenylsilane (CID 11082053) is tert-butyl-[5-[methyl(diphenyl)silyl]oxypent-3-ynoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[5-[methyl(diphenyl)silyl]oxypent-3-ynoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[5-[methyl(diphenyl)silyl]oxypent-3-ynoxy]-diphenylsilane is CC(C)(C)[Si](OCCC#CCO[Si](C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-[5-[methyl(diphenyl)silyl]oxypent-3-ynoxy]-diphenylsilane?
The InChIKey is RWNPATZHTGNLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38O2Si2/c1-34(2,3)38(32-24-14-7-15-25-32,33-26-16-8-17-27-33)36-29-19-9-18-28-35-37(4,30-20-10-5-11-21-30)31-22-12-6-13-23-31/h5-8,10-17,20-27H,19,28-29H2,1-4H3.
What are the key properties of tert-butyl-[5-[methyl(diphenyl)silyl]oxypent-3-ynoxy]-diphenylsilane?
tert-butyl-[5-[methyl(diphenyl)silyl]oxypent-3-ynoxy]-diphenylsilane has a molecular weight of 534.85 g/mol, XLogP of 5.36, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[5-[methyl(diphenyl)silyl]oxypent-3-ynoxy]-diphenylsilane is sourced from PubChem (CID 11082053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).