11-[tert-butyl(diphenyl)silyl]oxyundec-7-yne-5,6-diol;carbon monoxide;cobalt

C33H38Co2O9Si — CID 10985443

IUPAC11-[tert-butyl(diphenyl)silyl]oxyundec-7-yne-5,6-diol;carbon monoxide;cobalt
SMILESCCCCC(O)C(O)C#CCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Co]
InChIInChI=1S/C27H38O3Si.6CO.2Co/c1-5-6-20-25(28)26(29)21-14-9-15-22-30-31(27(2,3)4,23-16-10-7-11-17-23)24-18-12-8-13-19-24;6*1-2;;/h7-8,10-13,16-19,25-26,28-29H,5-6,9,15,20,22H2,1-4H3;;;;;;;;
InChIKeyBMKZGMDOUWICQU-UHFFFAOYSA-N
MW724.61 g/mol
LogP4.03
Rot. Bonds10

About 11-[tert-butyl(diphenyl)silyl]oxyundec-7-yne-5,6-diol;carbon monoxide;cobalt

11-[tert-butyl(diphenyl)silyl]oxyundec-7-yne-5,6-diol;carbon monoxide;cobalt (PubChem CID 10985443) has the molecular formula C33H38Co2O9Si and a molecular weight of 724.61 g/mol. Its IUPAC name is 11-[tert-butyl(diphenyl)silyl]oxyundec-7-yne-5,6-diol;carbon monoxide;cobalt.

Molecular Properties

Compound Name11-[tert-butyl(diphenyl)silyl]oxyundec-7-yne-5,6-diol;carbon monoxide;cobalt
PubChem CID10985443
Molecular FormulaC33H38Co2O9Si
Molecular Weight724.61 g/mol
Exact Mass724.09
IUPAC Name11-[tert-butyl(diphenyl)silyl]oxyundec-7-yne-5,6-diol;carbon monoxide;cobalt
SMILESCCCCC(O)C(O)C#CCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Co]
InChIInChI=1S/C27H38O3Si.6CO.2Co/c1-5-6-20-25(28)26(29)21-14-9-15-22-30-31(27(2,3)4,23-16-10-7-11-17-23)24-18-12-8-13-19-24;6*1-2;;/h7-8,10-13,16-19,25-26,28-29H,5-6,9,15,20,22H2,1-4H3;;;;;;;;
InChIKeyBMKZGMDOUWICQU-UHFFFAOYSA-N
XLogP4.03
TPSA169.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500724.61
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

9-[tert-butyl(diphenyl)silyl]oxynona-2,5-diyn-4-ol
CID 11991856
tert-butyl-diphenyl-tetradec-8-ynoxysilane
CID 90132306
(E,5R,6S)-1-[tert-butyl(diphenyl)silyl]oxytridec-3-en-7-yne-5,6-diol
CID 135030913
(3R)-1-[tert-butyl(diphenyl)silyl]oxytetradecan-3-ol
CID 10096198
(4R)-10-[tert-butyl(diphenyl)silyl]oxy-1,3,3-trichlorodec-5-yn-4-ol
CID 132507154
3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol;propane-1,3-diol
CID 161331009
1-[tert-butyl(diphenyl)silyl]oxyundec-5-yn-1-ol
CID 86716473
7-[tert-butyl(diphenyl)silyl]oxyhept-4-yn-1-ol
CID 132916775
(3R,4S)-1,1,3-tribromo-8-[tert-butyl(diphenyl)silyl]oxyoct-1-en-4-ol
CID 11828260
(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-hex-3-ynoxy-diphenylsilane
CID 10860665

Frequently Asked Questions

What is the IUPAC name of 11-[tert-butyl(diphenyl)silyl]oxyundec-7-yne-5,6-diol;carbon monoxide;cobalt?
The IUPAC name of 11-[tert-butyl(diphenyl)silyl]oxyundec-7-yne-5,6-diol;carbon monoxide;cobalt (CID 10985443) is 11-[tert-butyl(diphenyl)silyl]oxyundec-7-yne-5,6-diol;carbon monoxide;cobalt.
What is the SMILES notation for 11-[tert-butyl(diphenyl)silyl]oxyundec-7-yne-5,6-diol;carbon monoxide;cobalt?
The canonical SMILES for 11-[tert-butyl(diphenyl)silyl]oxyundec-7-yne-5,6-diol;carbon monoxide;cobalt is CCCCC(O)C(O)C#CCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Co].
What is the InChIKey of 11-[tert-butyl(diphenyl)silyl]oxyundec-7-yne-5,6-diol;carbon monoxide;cobalt?
The InChIKey is BMKZGMDOUWICQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38O3Si.6CO.2Co/c1-5-6-20-25(28)26(29)21-14-9-15-22-30-31(27(2,3)4,23-16-10-7-11-17-23)24-18-12-8-13-19-24;6*1-2;;/h7-8,10-13,16-19,25-26,28-29H,5-6,9,15,20,22H2,1-4H3;;;;;;;;.
What are the key properties of 11-[tert-butyl(diphenyl)silyl]oxyundec-7-yne-5,6-diol;carbon monoxide;cobalt?
11-[tert-butyl(diphenyl)silyl]oxyundec-7-yne-5,6-diol;carbon monoxide;cobalt has a molecular weight of 724.61 g/mol, XLogP of 4.03, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[tert-butyl(diphenyl)silyl]oxyundec-7-yne-5,6-diol;carbon monoxide;cobalt is sourced from PubChem (CID 10985443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).