tert-butyl-[2-[tert-butyl(dimethyl)silyl]oxy-4-[1-(3-hex-3-en-5-yn-3-ylphenoxy)ethyl]phenoxy]-dimethylsilane

C32H48O3Si2 — CID 91565630

IUPACtert-butyl-[2-[tert-butyl(dimethyl)silyl]oxy-4-[1-(3-hex-3-en-5-yn-3-ylphenoxy)ethyl]phenoxy]-dimethylsilane
SMILESC#CC=C(CC)c1cccc(OC(C)c2ccc(O[Si](C)(C)C(C)(C)C)c(O[Si](C)(C)C(C)(C)C)c2)c1
InChIInChI=1S/C32H48O3Si2/c1-14-17-25(15-2)27-18-16-19-28(22-27)33-24(3)26-20-21-29(34-36(10,11)31(4,5)6)30(23-26)35-37(12,13)32(7,8)9/h1,16-24H,15H2,2-13H3
InChIKeyMNTNFGVAIAMCCP-UHFFFAOYSA-N
MW536.91 g/mol
LogP10.02
Rot. Bonds9

About tert-butyl-[2-[tert-butyl(dimethyl)silyl]oxy-4-[1-(3-hex-3-en-5-yn-3-ylphenoxy)ethyl]phenoxy]-dimethylsilane

tert-butyl-[2-[tert-butyl(dimethyl)silyl]oxy-4-[1-(3-hex-3-en-5-yn-3-ylphenoxy)ethyl]phenoxy]-dimethylsilane (PubChem CID 91565630) has the molecular formula C32H48O3Si2 and a molecular weight of 536.91 g/mol. Its IUPAC name is tert-butyl-[2-[tert-butyl(dimethyl)silyl]oxy-4-[1-(3-hex-3-en-5-yn-3-ylphenoxy)ethyl]phenoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2-[tert-butyl(dimethyl)silyl]oxy-4-[1-(3-hex-3-en-5-yn-3-ylphenoxy)ethyl]phenoxy]-dimethylsilane
PubChem CID91565630
Molecular FormulaC32H48O3Si2
Molecular Weight536.91 g/mol
Exact Mass536.31
IUPAC Nametert-butyl-[2-[tert-butyl(dimethyl)silyl]oxy-4-[1-(3-hex-3-en-5-yn-3-ylphenoxy)ethyl]phenoxy]-dimethylsilane
SMILESC#CC=C(CC)c1cccc(OC(C)c2ccc(O[Si](C)(C)C(C)(C)C)c(O[Si](C)(C)C(C)(C)C)c2)c1
InChIInChI=1S/C32H48O3Si2/c1-14-17-25(15-2)27-18-16-19-28(22-27)33-24(3)26-20-21-29(34-36(10,11)31(4,5)6)30(23-26)35-37(12,13)32(7,8)9/h1,16-24H,15H2,2-13H3
InChIKeyMNTNFGVAIAMCCP-UHFFFAOYSA-N
XLogP10.02
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.91
LogP ≤ 510.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[2-[tert-butyl(dimethyl)silyl]oxy-4-[1-[3-[(E)-hex-3-en-5-yn-3-yl]phenoxy]ethyl]phenoxy]-dimethylsilane
CID 87503923
3-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]pent-2-enoic acid
CID 68579544
tert-butyl-[3-[(3Z)-6,6-dibromohexa-3,5-dien-3-yl]phenoxy]-dimethylsilane
CID 87503870
1-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]propan-1-one
CID 15049953
(Z)-3-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]but-2-enenitrile
CID 23439964
3-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-2-cyano-3-hydroxy-N-phenylprop-2-enamide
CID 67879756
methyl 4-[tert-butyl(dimethyl)silyl]oxy-3-phenoxybenzoate
CID 10760874
(2R,3S,4S)-1,4-bis[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]-2,3-dimethylbutane-1,4-diol
CID 163284430
tert-butyl-dimethyl-[3-(3-methyl-2-propan-2-yl-1-propan-2-yloxybut-1-enyl)phenoxy]silane
CID 15880823
1-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-2-bromoethanone
CID 142730774
1-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]ethanol
CID 66660384
2,2-difluoroethyl 3-[tert-butyl(dimethyl)silyl]oxybenzoate
CID 19076715

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-[tert-butyl(dimethyl)silyl]oxy-4-[1-(3-hex-3-en-5-yn-3-ylphenoxy)ethyl]phenoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[2-[tert-butyl(dimethyl)silyl]oxy-4-[1-(3-hex-3-en-5-yn-3-ylphenoxy)ethyl]phenoxy]-dimethylsilane (CID 91565630) is tert-butyl-[2-[tert-butyl(dimethyl)silyl]oxy-4-[1-(3-hex-3-en-5-yn-3-ylphenoxy)ethyl]phenoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[2-[tert-butyl(dimethyl)silyl]oxy-4-[1-(3-hex-3-en-5-yn-3-ylphenoxy)ethyl]phenoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[2-[tert-butyl(dimethyl)silyl]oxy-4-[1-(3-hex-3-en-5-yn-3-ylphenoxy)ethyl]phenoxy]-dimethylsilane is C#CC=C(CC)c1cccc(OC(C)c2ccc(O[Si](C)(C)C(C)(C)C)c(O[Si](C)(C)C(C)(C)C)c2)c1.
What is the InChIKey of tert-butyl-[2-[tert-butyl(dimethyl)silyl]oxy-4-[1-(3-hex-3-en-5-yn-3-ylphenoxy)ethyl]phenoxy]-dimethylsilane?
The InChIKey is MNTNFGVAIAMCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H48O3Si2/c1-14-17-25(15-2)27-18-16-19-28(22-27)33-24(3)26-20-21-29(34-36(10,11)31(4,5)6)30(23-26)35-37(12,13)32(7,8)9/h1,16-24H,15H2,2-13H3.
What are the key properties of tert-butyl-[2-[tert-butyl(dimethyl)silyl]oxy-4-[1-(3-hex-3-en-5-yn-3-ylphenoxy)ethyl]phenoxy]-dimethylsilane?
tert-butyl-[2-[tert-butyl(dimethyl)silyl]oxy-4-[1-(3-hex-3-en-5-yn-3-ylphenoxy)ethyl]phenoxy]-dimethylsilane has a molecular weight of 536.91 g/mol, XLogP of 10.02, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[tert-butyl(dimethyl)silyl]oxy-4-[1-(3-hex-3-en-5-yn-3-ylphenoxy)ethyl]phenoxy]-dimethylsilane is sourced from PubChem (CID 91565630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).