9-[tert-butyl(diphenyl)silyl]oxynona-2,5-diyn-4-ol

C25H30O2Si — CID 11991856

IUPAC9-[tert-butyl(diphenyl)silyl]oxynona-2,5-diyn-4-ol
SMILESCC#CC(O)C#CCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H30O2Si/c1-5-15-22(26)16-9-8-14-21-27-28(25(2,3)4,23-17-10-6-11-18-23)24-19-12-7-13-20-24/h6-7,10-13,17-20,22,26H,8,14,21H2,1-4H3
InChIKeyKAYPTNCODOFWFJ-UHFFFAOYSA-N
MW390.60 g/mol
LogP3.73
Rot. Bonds6

About 9-[tert-butyl(diphenyl)silyl]oxynona-2,5-diyn-4-ol

9-[tert-butyl(diphenyl)silyl]oxynona-2,5-diyn-4-ol (PubChem CID 11991856) has the molecular formula C25H30O2Si and a molecular weight of 390.60 g/mol. Its IUPAC name is 9-[tert-butyl(diphenyl)silyl]oxynona-2,5-diyn-4-ol.

Molecular Properties

Compound Name9-[tert-butyl(diphenyl)silyl]oxynona-2,5-diyn-4-ol
PubChem CID11991856
Molecular FormulaC25H30O2Si
Molecular Weight390.60 g/mol
Exact Mass390.20
IUPAC Name9-[tert-butyl(diphenyl)silyl]oxynona-2,5-diyn-4-ol
SMILESCC#CC(O)C#CCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H30O2Si/c1-5-15-22(26)16-9-8-14-21-27-28(25(2,3)4,23-17-10-6-11-18-23)24-19-12-7-13-20-24/h6-7,10-13,17-20,22,26H,8,14,21H2,1-4H3
InChIKeyKAYPTNCODOFWFJ-UHFFFAOYSA-N
XLogP3.73
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.60
LogP ≤ 53.73
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

11-[tert-butyl(diphenyl)silyl]oxyundec-7-yne-5,6-diol;carbon monoxide;cobalt
CID 10985443
(4R)-10-[tert-butyl(diphenyl)silyl]oxy-1,3,3-trichlorodec-5-yn-4-ol
CID 132507154
7-[tert-butyl(diphenyl)silyl]oxyhept-4-yn-1-ol
CID 132916775
tert-butyl-diphenyl-tetradec-8-ynoxysilane
CID 90132306
(3R)-7-[tert-butyl(diphenyl)silyl]oxy-1,1-dimethoxyhept-4-yn-3-ol
CID 24795141
(1S)-7-[tert-butyl(diphenyl)silyl]oxy-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hept-2-yn-1-ol
CID 11155554
tert-butyl-diphenyl-(5-pyridin-2-ylpent-4-ynoxy)silane
CID 11825519
(E,5R,6S)-1-[tert-butyl(diphenyl)silyl]oxytridec-3-en-7-yne-5,6-diol
CID 135030913
3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol;propane-1,3-diol
CID 161331009
12-[tert-butyl(diphenyl)silyl]oxydodecan-1-ol
CID 11015684
3-bromopropoxy-tert-butyl-diphenylsilane
CID 11245865
(3R)-1-[tert-butyl(diphenyl)silyl]oxyhex-5-yn-3-ol
CID 23624368

Frequently Asked Questions

What is the IUPAC name of 9-[tert-butyl(diphenyl)silyl]oxynona-2,5-diyn-4-ol?
The IUPAC name of 9-[tert-butyl(diphenyl)silyl]oxynona-2,5-diyn-4-ol (CID 11991856) is 9-[tert-butyl(diphenyl)silyl]oxynona-2,5-diyn-4-ol.
What is the SMILES notation for 9-[tert-butyl(diphenyl)silyl]oxynona-2,5-diyn-4-ol?
The canonical SMILES for 9-[tert-butyl(diphenyl)silyl]oxynona-2,5-diyn-4-ol is CC#CC(O)C#CCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of 9-[tert-butyl(diphenyl)silyl]oxynona-2,5-diyn-4-ol?
The InChIKey is KAYPTNCODOFWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30O2Si/c1-5-15-22(26)16-9-8-14-21-27-28(25(2,3)4,23-17-10-6-11-18-23)24-19-12-7-13-20-24/h6-7,10-13,17-20,22,26H,8,14,21H2,1-4H3.
What are the key properties of 9-[tert-butyl(diphenyl)silyl]oxynona-2,5-diyn-4-ol?
9-[tert-butyl(diphenyl)silyl]oxynona-2,5-diyn-4-ol has a molecular weight of 390.60 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[tert-butyl(diphenyl)silyl]oxynona-2,5-diyn-4-ol is sourced from PubChem (CID 11991856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).