1-[tert-butyl(diphenyl)silyl]oxy-8-trimethylsilylocta-5,7-diyn-4-ol

C27H36O2Si2 — CID 134866622

IUPAC1-[tert-butyl(diphenyl)silyl]oxy-8-trimethylsilylocta-5,7-diyn-4-ol
SMILESCC(C)(C)[Si](OCCCC(O)C#CC#C[Si](C)(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H36O2Si2/c1-27(2,3)31(25-18-9-7-10-19-25,26-20-11-8-12-21-26)29-22-15-17-24(28)16-13-14-23-30(4,5)6/h7-12,18-21,24,28H,15,17,22H2,1-6H3
InChIKeyKFRWWGGTLFUYDO-UHFFFAOYSA-N
MW448.76 g/mol
LogP4.59
Rot. Bonds7

About 1-[tert-butyl(diphenyl)silyl]oxy-8-trimethylsilylocta-5,7-diyn-4-ol

1-[tert-butyl(diphenyl)silyl]oxy-8-trimethylsilylocta-5,7-diyn-4-ol (PubChem CID 134866622) has the molecular formula C27H36O2Si2 and a molecular weight of 448.76 g/mol. Its IUPAC name is 1-[tert-butyl(diphenyl)silyl]oxy-8-trimethylsilylocta-5,7-diyn-4-ol.

Molecular Properties

Compound Name1-[tert-butyl(diphenyl)silyl]oxy-8-trimethylsilylocta-5,7-diyn-4-ol
PubChem CID134866622
Molecular FormulaC27H36O2Si2
Molecular Weight448.76 g/mol
Exact Mass448.23
IUPAC Name1-[tert-butyl(diphenyl)silyl]oxy-8-trimethylsilylocta-5,7-diyn-4-ol
SMILESCC(C)(C)[Si](OCCCC(O)C#CC#C[Si](C)(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H36O2Si2/c1-27(2,3)31(25-18-9-7-10-19-25,26-20-11-8-12-21-26)29-22-15-17-24(28)16-13-14-23-30(4,5)6/h7-12,18-21,24,28H,15,17,22H2,1-6H3
InChIKeyKFRWWGGTLFUYDO-UHFFFAOYSA-N
XLogP4.59
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.76
LogP ≤ 54.59
H-Bond Donors ≤ 51
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

6-((tert-Butyldiphenylsilyl)oxy)hexan-1-ol
CID 11013734
(R)-4-(tert-Butyldiphenylsilyloxy)-3-methyl-1-butanol
CID 23727941
1-Butanol, 4-[[(1,1-dimethylethyl)diphenylsilyl]oxy]-
CID 10065108
5-(tert-Butyldiphenylsilyloxy)pentan-1-ol
CID 10925936
6-[Tert-butyl(diphenyl)silyl]oxyhexan-2-ol
CID 11783240
(S)-1-[(tert-Butyldiphenylsilyl)oxy]-3-butyn-2-ol
CID 14778754
9-[Tert-butyl(diphenyl)silyl]oxynonan-1-ol
CID 14940128
tert-butyl-[(2R)-hept-6-en-2-yl]oxy-diphenylsilane
CID 44178593
4-((tert-Butyldiphenylsilyl)oxy)but-2-yn-1-ol
CID 59234967
(3S)-3-[tert-butyl(diphenyl)silyl]oxy-4-methylpentane-1,4-diol
CID 357857
4-[Tert-butyl(diphenyl)silyl]oxy-5-fluoropentan-1-ol
CID 138975569
4-[Tert-butyl(diphenyl)silyl]butan-2-ol
CID 9995683

Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(diphenyl)silyl]oxy-8-trimethylsilylocta-5,7-diyn-4-ol?
The IUPAC name of 1-[tert-butyl(diphenyl)silyl]oxy-8-trimethylsilylocta-5,7-diyn-4-ol (CID 134866622) is 1-[tert-butyl(diphenyl)silyl]oxy-8-trimethylsilylocta-5,7-diyn-4-ol.
What is the SMILES notation for 1-[tert-butyl(diphenyl)silyl]oxy-8-trimethylsilylocta-5,7-diyn-4-ol?
The canonical SMILES for 1-[tert-butyl(diphenyl)silyl]oxy-8-trimethylsilylocta-5,7-diyn-4-ol is CC(C)(C)[Si](OCCCC(O)C#CC#C[Si](C)(C)C)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-[tert-butyl(diphenyl)silyl]oxy-8-trimethylsilylocta-5,7-diyn-4-ol?
The InChIKey is KFRWWGGTLFUYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36O2Si2/c1-27(2,3)31(25-18-9-7-10-19-25,26-20-11-8-12-21-26)29-22-15-17-24(28)16-13-14-23-30(4,5)6/h7-12,18-21,24,28H,15,17,22H2,1-6H3.
What are the key properties of 1-[tert-butyl(diphenyl)silyl]oxy-8-trimethylsilylocta-5,7-diyn-4-ol?
1-[tert-butyl(diphenyl)silyl]oxy-8-trimethylsilylocta-5,7-diyn-4-ol has a molecular weight of 448.76 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(diphenyl)silyl]oxy-8-trimethylsilylocta-5,7-diyn-4-ol is sourced from PubChem (CID 134866622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).