tert-butyl-[(3R,5S,6S)-3-[(4-methoxyphenyl)methoxy]-6-methyldec-9-yn-5-yl]oxy-dimethylsilane

C25H42O3Si — CID 25228674

IUPACtert-butyl-[(3R,5S,6S)-3-[(4-methoxyphenyl)methoxy]-6-methyldec-9-yn-5-yl]oxy-dimethylsilane
SMILESC#CCC[C@H](C)[C@H](C[C@@H](CC)OCc1ccc(OC)cc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H42O3Si/c1-10-12-13-20(3)24(28-29(8,9)25(4,5)6)18-22(11-2)27-19-21-14-16-23(26-7)17-15-21/h1,14-17,20,22,24H,11-13,18-19H2,2-9H3/t20-,22+,24-/m0/s1
InChIKeyYTKOAUXAIRONDR-FJIJXJHWSA-N
MW418.69 g/mol
LogP6.82
Rot. Bonds12

About tert-butyl-[(3R,5S,6S)-3-[(4-methoxyphenyl)methoxy]-6-methyldec-9-yn-5-yl]oxy-dimethylsilane

tert-butyl-[(3R,5S,6S)-3-[(4-methoxyphenyl)methoxy]-6-methyldec-9-yn-5-yl]oxy-dimethylsilane (PubChem CID 25228674) has the molecular formula C25H42O3Si and a molecular weight of 418.69 g/mol. Its IUPAC name is tert-butyl-[(3R,5S,6S)-3-[(4-methoxyphenyl)methoxy]-6-methyldec-9-yn-5-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3R,5S,6S)-3-[(4-methoxyphenyl)methoxy]-6-methyldec-9-yn-5-yl]oxy-dimethylsilane
PubChem CID25228674
Molecular FormulaC25H42O3Si
Molecular Weight418.69 g/mol
Exact Mass418.29
IUPAC Nametert-butyl-[(3R,5S,6S)-3-[(4-methoxyphenyl)methoxy]-6-methyldec-9-yn-5-yl]oxy-dimethylsilane
SMILESC#CCC[C@H](C)[C@H](C[C@@H](CC)OCc1ccc(OC)cc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H42O3Si/c1-10-12-13-20(3)24(28-29(8,9)25(4,5)6)18-22(11-2)27-19-21-14-16-23(26-7)17-15-21/h1,14-17,20,22,24H,11-13,18-19H2,2-9H3/t20-,22+,24-/m0/s1
InChIKeyYTKOAUXAIRONDR-FJIJXJHWSA-N
XLogP6.82
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.69
LogP ≤ 56.82
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'}

Analyze tert-butyl-[(3R,5S,6S)-3-[(4-methoxyphenyl)methoxy]-6-methyldec-9-yn-5-yl]oxy-dimethylsilane with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl-dimethyl-[(3S,4R)-4-phenylmethoxyoct-7-yn-3-yl]oxysilane
CID 102243203
tert-butyl-[(2S,3S,4S)-3-[(4-methoxyphenyl)methoxy]-4-methylhex-5-yn-2-yl]oxy-dimethylsilane
CID 15814219
tert-butyl-[(2R,3S,4S,5R)-1-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylheptan-3-yl]oxy-dimethylsilane
CID 16754070
(3S,4S,5R,7S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-7-[(4-methoxyphenyl)methoxy]-5-methyloctan-2-ol
CID 71469752
(2R,3R,4R,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]-2,4,6-trimethyloctanal
CID 59015200
(2S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]-5-methyl-8-trimethylsilyloct-7-yn-1-ol
CID 15606034
(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-4-methylpentanal
CID 134972578
tert-butyl-[(3S)-5-[(4-methoxyphenyl)methoxy]pent-1-yn-3-yl]oxy-dimethylsilane
CID 59913497
3-[(4-methoxyphenyl)methoxy]pentan-1-amine
CID 43428425
(2S,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-2-[(4-methoxyphenyl)methoxy]dec-8-ynal
CID 101272553
4-[tert-butyl(dimethyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]butan-1-ol
CID 72970803
tert-butyl-[(4S,7R,8R)-7-[tert-butyl(dimethyl)silyl]oxy-8-[(4-methoxyphenyl)methoxy]dodec-1-en-4-yl]oxy-dimethylsilane
CID 11505055

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3R,5S,6S)-3-[(4-methoxyphenyl)methoxy]-6-methyldec-9-yn-5-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(3R,5S,6S)-3-[(4-methoxyphenyl)methoxy]-6-methyldec-9-yn-5-yl]oxy-dimethylsilane (CID 25228674) is tert-butyl-[(3R,5S,6S)-3-[(4-methoxyphenyl)methoxy]-6-methyldec-9-yn-5-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3R,5S,6S)-3-[(4-methoxyphenyl)methoxy]-6-methyldec-9-yn-5-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(3R,5S,6S)-3-[(4-methoxyphenyl)methoxy]-6-methyldec-9-yn-5-yl]oxy-dimethylsilane is C#CCC[C@H](C)[C@H](C[C@@H](CC)OCc1ccc(OC)cc1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(3R,5S,6S)-3-[(4-methoxyphenyl)methoxy]-6-methyldec-9-yn-5-yl]oxy-dimethylsilane?
The InChIKey is YTKOAUXAIRONDR-FJIJXJHWSA-N. The full InChI is InChI=1S/C25H42O3Si/c1-10-12-13-20(3)24(28-29(8,9)25(4,5)6)18-22(11-2)27-19-21-14-16-23(26-7)17-15-21/h1,14-17,20,22,24H,11-13,18-19H2,2-9H3/t20-,22+,24-/m0/s1.
What are the key properties of tert-butyl-[(3R,5S,6S)-3-[(4-methoxyphenyl)methoxy]-6-methyldec-9-yn-5-yl]oxy-dimethylsilane?
tert-butyl-[(3R,5S,6S)-3-[(4-methoxyphenyl)methoxy]-6-methyldec-9-yn-5-yl]oxy-dimethylsilane has a molecular weight of 418.69 g/mol, XLogP of 6.82, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3R,5S,6S)-3-[(4-methoxyphenyl)methoxy]-6-methyldec-9-yn-5-yl]oxy-dimethylsilane is sourced from PubChem (CID 25228674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).