1-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]non-2-yn-1-ol;carbon monoxide;cobalt

C33H48Co2O9Si2 — CID 11764159

IUPAC1-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]non-2-yn-1-ol;carbon monoxide;cobalt
SMILESCCCCCCC#CC(O)c1cc(O[Si](C)(C)C(C)(C)C)cc(O[Si](C)(C)C(C)(C)C)c1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Co]
InChIInChI=1S/C27H48O3Si2.6CO.2Co/c1-12-13-14-15-16-17-18-25(28)22-19-23(29-31(8,9)26(2,3)4)21-24(20-22)30-32(10,11)27(5,6)7;6*1-2;;/h19-21,25,28H,12-16H2,1-11H3;;;;;;;;
InChIKeyNFJIVZOBZLKZOZ-UHFFFAOYSA-N
MW762.78 g/mol
LogP8.23
Rot. Bonds9

About 1-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]non-2-yn-1-ol;carbon monoxide;cobalt

1-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]non-2-yn-1-ol;carbon monoxide;cobalt (PubChem CID 11764159) has the molecular formula C33H48Co2O9Si2 and a molecular weight of 762.78 g/mol. Its IUPAC name is 1-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]non-2-yn-1-ol;carbon monoxide;cobalt.

Molecular Properties

Compound Name1-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]non-2-yn-1-ol;carbon monoxide;cobalt
PubChem CID11764159
Molecular FormulaC33H48Co2O9Si2
Molecular Weight762.78 g/mol
Exact Mass762.15
IUPAC Name1-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]non-2-yn-1-ol;carbon monoxide;cobalt
SMILESCCCCCCC#CC(O)c1cc(O[Si](C)(C)C(C)(C)C)cc(O[Si](C)(C)C(C)(C)C)c1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Co]
InChIInChI=1S/C27H48O3Si2.6CO.2Co/c1-12-13-14-15-16-17-18-25(28)22-19-23(29-31(8,9)26(2,3)4)21-24(20-22)30-32(10,11)27(5,6)7;6*1-2;;/h19-21,25,28H,12-16H2,1-11H3;;;;;;;;
InChIKeyNFJIVZOBZLKZOZ-UHFFFAOYSA-N
XLogP8.23
TPSA158.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.78
LogP ≤ 58.23
H-Bond Donors ≤ 51
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

(1S)-1-(4-methoxyphenyl)hept-2-yn-1-ol
CID 101224445
(2R)-dec-3-yn-2-ol
CID 129384454
(2S)-heptadec-3-yn-2-ol
CID 58473313
1-(4-bromophenyl)non-3-yn-2-yloxy-tert-butyl-dimethylsilane
CID 19869767
2,2-dimethylheptadec-4-yn-3-ol
CID 177304706
[(5R)-19-bromononadec-6-yn-5-yl]oxy-tert-butyl-dimethylsilane
CID 87948326
1-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]ethanol
CID 66660384
[(5R)-20-bromoicosa-6,15-diyn-5-yl]oxy-tert-butyl-dimethylsilane
CID 87979821
(2R)-1-[tert-butyl(dimethyl)silyl]oxynonadec-4-yn-2-ol;hexadec-1-yne
CID 164949414
tert-butyl-[(11R)-henicosa-6,9-diyn-11-yl]oxy-dimethylsilane
CID 71377830
5-[tert-butyl(dimethyl)silyl]oxy-2-[(3S)-hept-1-en-3-yl]benzene-1,3-diol
CID 146161958
11-[tert-butyl(diphenyl)silyl]oxyundec-7-yne-5,6-diol;carbon monoxide;cobalt
CID 10985443

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]non-2-yn-1-ol;carbon monoxide;cobalt?
The IUPAC name of 1-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]non-2-yn-1-ol;carbon monoxide;cobalt (CID 11764159) is 1-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]non-2-yn-1-ol;carbon monoxide;cobalt.
What is the SMILES notation for 1-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]non-2-yn-1-ol;carbon monoxide;cobalt?
The canonical SMILES for 1-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]non-2-yn-1-ol;carbon monoxide;cobalt is CCCCCCC#CC(O)c1cc(O[Si](C)(C)C(C)(C)C)cc(O[Si](C)(C)C(C)(C)C)c1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Co].
What is the InChIKey of 1-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]non-2-yn-1-ol;carbon monoxide;cobalt?
The InChIKey is NFJIVZOBZLKZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H48O3Si2.6CO.2Co/c1-12-13-14-15-16-17-18-25(28)22-19-23(29-31(8,9)26(2,3)4)21-24(20-22)30-32(10,11)27(5,6)7;6*1-2;;/h19-21,25,28H,12-16H2,1-11H3;;;;;;;;.
What are the key properties of 1-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]non-2-yn-1-ol;carbon monoxide;cobalt?
1-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]non-2-yn-1-ol;carbon monoxide;cobalt has a molecular weight of 762.78 g/mol, XLogP of 8.23, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]non-2-yn-1-ol;carbon monoxide;cobalt is sourced from PubChem (CID 11764159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).