9-[tert-butyl(dimethyl)silyl]oxy-2-methyloctadec-7-yn-6-ol

C25H50O2Si — CID 10364274

IUPAC9-[tert-butyl(dimethyl)silyl]oxy-2-methyloctadec-7-yn-6-ol
SMILESCCCCCCCCCC(C#CC(O)CCCC(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H50O2Si/c1-9-10-11-12-13-14-15-19-24(27-28(7,8)25(4,5)6)21-20-23(26)18-16-17-22(2)3/h22-24,26H,9-19H2,1-8H3
InChIKeyYHFVESKWZKRYIY-UHFFFAOYSA-N
MW410.76 g/mol
LogP7.71
Rot. Bonds14

About 9-[tert-butyl(dimethyl)silyl]oxy-2-methyloctadec-7-yn-6-ol

9-[tert-butyl(dimethyl)silyl]oxy-2-methyloctadec-7-yn-6-ol (PubChem CID 10364274) has the molecular formula C25H50O2Si and a molecular weight of 410.76 g/mol. Its IUPAC name is 9-[tert-butyl(dimethyl)silyl]oxy-2-methyloctadec-7-yn-6-ol.

Molecular Properties

Compound Name9-[tert-butyl(dimethyl)silyl]oxy-2-methyloctadec-7-yn-6-ol
PubChem CID10364274
Molecular FormulaC25H50O2Si
Molecular Weight410.76 g/mol
Exact Mass410.36
IUPAC Name9-[tert-butyl(dimethyl)silyl]oxy-2-methyloctadec-7-yn-6-ol
SMILESCCCCCCCCCC(C#CC(O)CCCC(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H50O2Si/c1-9-10-11-12-13-14-15-19-24(27-28(7,8)25(4,5)6)21-20-23(26)18-16-17-22(2)3/h22-24,26H,9-19H2,1-8H3
InChIKeyYHFVESKWZKRYIY-UHFFFAOYSA-N
XLogP7.71
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.76
LogP ≤ 57.71
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

Strongylodiol D
CID 11417800
Silane, dimethyl(2-methyloct-5-yn-4-yloxy)octyloxy-
CID 91740097
(3S,4R)-3-methyl-1-trimethylsilyldec-1-yn-4-ol
CID 10657710
(1R)-4-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexylbut-2-yn-1-ol
CID 11346596
(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-7-methyl-1-trimethylsilyloct-1-yn-3-ol
CID 11393738
(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-7-methyl-1-trimethylsilyloct-1-yn-3-ol
CID 11416604
(2R,3S)-2-heptyl-2-triethylsilylpent-4-yne-1,3-diol
CID 11645298
(4R,6R,8S,10S)-8-methoxy-6-methyl-1-trimethylsilyltridec-1-yne-4,10-diol
CID 44477845
17-Methyl-1-trimethylsilylpentacos-1-yn-3-ol
CID 91252750
(6R,12R)-12-[tert-butyl(dimethyl)silyl]oxy-13-methyltetradecan-6-ol
CID 101202761
1-[Tert-butyl(dimethyl)silyl]dodec-1-yn-4-ol
CID 101261967
(2S,4S,6R,8R)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethylnonan-1-ol
CID 101399728

Frequently Asked Questions

What is the IUPAC name of 9-[tert-butyl(dimethyl)silyl]oxy-2-methyloctadec-7-yn-6-ol?
The IUPAC name of 9-[tert-butyl(dimethyl)silyl]oxy-2-methyloctadec-7-yn-6-ol (CID 10364274) is 9-[tert-butyl(dimethyl)silyl]oxy-2-methyloctadec-7-yn-6-ol.
What is the SMILES notation for 9-[tert-butyl(dimethyl)silyl]oxy-2-methyloctadec-7-yn-6-ol?
The canonical SMILES for 9-[tert-butyl(dimethyl)silyl]oxy-2-methyloctadec-7-yn-6-ol is CCCCCCCCCC(C#CC(O)CCCC(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 9-[tert-butyl(dimethyl)silyl]oxy-2-methyloctadec-7-yn-6-ol?
The InChIKey is YHFVESKWZKRYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H50O2Si/c1-9-10-11-12-13-14-15-19-24(27-28(7,8)25(4,5)6)21-20-23(26)18-16-17-22(2)3/h22-24,26H,9-19H2,1-8H3.
What are the key properties of 9-[tert-butyl(dimethyl)silyl]oxy-2-methyloctadec-7-yn-6-ol?
9-[tert-butyl(dimethyl)silyl]oxy-2-methyloctadec-7-yn-6-ol has a molecular weight of 410.76 g/mol, XLogP of 7.71, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[tert-butyl(dimethyl)silyl]oxy-2-methyloctadec-7-yn-6-ol is sourced from PubChem (CID 10364274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).