[(2R,3R,5R)-5-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2-(3-hydroxy-5-trimethylsilylpent-4-ynyl)oxolan-3-yl] acetate;carbon monoxide;cobalt

C32H48Co2O11Si2 — CID 134885250

IUPAC[(2R,3R,5R)-5-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2-(3-hydroxy-5-trimethylsilylpent-4-ynyl)oxolan-3-yl] acetate;carbon monoxide;cobalt
SMILESCC/C=C/C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1C[C@@H](OC(C)=O)[C@@H](CCC(O)C#C[Si](C)(C)C)O1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Co]
InChIInChI=1S/C26H48O5Si2.6CO.2Co/c1-11-12-13-14-23(31-33(9,10)26(3,4)5)25-19-24(29-20(2)27)22(30-25)16-15-21(28)17-18-32(6,7)8;6*1-2;;/h12-13,21-25,28H,11,14-16,19H2,1-10H3;;;;;;;;/b13-12+;;;;;;;;/t21?,22-,23+,24-,25-;;;;;;;;/m1......../s1
InChIKeyNFNSJKJVYWWJRJ-GMPVNYRKSA-N
MW782.76 g/mol
LogP5.61
Rot. Bonds10

About [(2R,3R,5R)-5-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2-(3-hydroxy-5-trimethylsilylpent-4-ynyl)oxolan-3-yl] acetate;carbon monoxide;cobalt

[(2R,3R,5R)-5-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2-(3-hydroxy-5-trimethylsilylpent-4-ynyl)oxolan-3-yl] acetate;carbon monoxide;cobalt (PubChem CID 134885250) has the molecular formula C32H48Co2O11Si2 and a molecular weight of 782.76 g/mol. Its IUPAC name is [(2R,3R,5R)-5-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2-(3-hydroxy-5-trimethylsilylpent-4-ynyl)oxolan-3-yl] acetate;carbon monoxide;cobalt.

Molecular Properties

Compound Name[(2R,3R,5R)-5-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2-(3-hydroxy-5-trimethylsilylpent-4-ynyl)oxolan-3-yl] acetate;carbon monoxide;cobalt
PubChem CID134885250
Molecular FormulaC32H48Co2O11Si2
Molecular Weight782.76 g/mol
Exact Mass782.14
IUPAC Name[(2R,3R,5R)-5-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2-(3-hydroxy-5-trimethylsilylpent-4-ynyl)oxolan-3-yl] acetate;carbon monoxide;cobalt
SMILESCC/C=C/C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1C[C@@H](OC(C)=O)[C@@H](CCC(O)C#C[Si](C)(C)C)O1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Co]
InChIInChI=1S/C26H48O5Si2.6CO.2Co/c1-11-12-13-14-23(31-33(9,10)26(3,4)5)25-19-24(29-20(2)27)22(30-25)16-15-21(28)17-18-32(6,7)8;6*1-2;;/h12-13,21-25,28H,11,14-16,19H2,1-10H3;;;;;;;;/b13-12+;;;;;;;;/t21?,22-,23+,24-,25-;;;;;;;;/m1......../s1
InChIKeyNFNSJKJVYWWJRJ-GMPVNYRKSA-N
XLogP5.61
TPSA184.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500782.76
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze [(2R,3R,5R)-5-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2-(3-hydroxy-5-trimethylsilylpent-4-ynyl)oxolan-3-yl] acetate;carbon monoxide;cobalt with MolForge

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Related Compounds

[(2R,3R,5R)-5-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2-(3-hydroxy-5-trimethylsilylpent-4-ynyl)oxolan-3-yl] acetate
CID 101747690
[(2R,3R,5R)-5-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2-[(E)-5-trimethylsilylpent-2-en-4-ynyl]oxolan-3-yl] acetate;carbon monoxide;cobalt
CID 134885251
[(2R,3R,5R)-5-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2-[(E)-5-trimethylsilylpent-2-en-4-ynyl]oxolan-3-yl] acetate
CID 134885252
[(E)-13-[[2-[[[ethenyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]ethyl-ethyl-methylsilyl]oxy-[ethyl(methyl)silyl]oxy-methylsilyl]-6,8-dihydroxytridec-10-en-4-yl] acetate
CID 160969876
[(2R,3R,5R)-5-[(E,1S)-1-hydroxyhex-3-enyl]-2-[(E)-5-trimethylsilylpent-2-en-4-ynyl]oxolan-3-yl] acetate
CID 11405870
(Z)-7-[(2S,3S,5S)-5-[(E,1R,4R)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]non-2-enyl]-3-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]hept-5-enoic acid
CID 11578487
(Z)-7-[(2S,3S,5S)-5-[(E,1R,4S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]non-2-enyl]-3-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]hept-5-enoic acid
CID 11585709

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,5R)-5-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2-(3-hydroxy-5-trimethylsilylpent-4-ynyl)oxolan-3-yl] acetate;carbon monoxide;cobalt?
The IUPAC name of [(2R,3R,5R)-5-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2-(3-hydroxy-5-trimethylsilylpent-4-ynyl)oxolan-3-yl] acetate;carbon monoxide;cobalt (CID 134885250) is [(2R,3R,5R)-5-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2-(3-hydroxy-5-trimethylsilylpent-4-ynyl)oxolan-3-yl] acetate;carbon monoxide;cobalt.
What is the SMILES notation for [(2R,3R,5R)-5-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2-(3-hydroxy-5-trimethylsilylpent-4-ynyl)oxolan-3-yl] acetate;carbon monoxide;cobalt?
The canonical SMILES for [(2R,3R,5R)-5-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2-(3-hydroxy-5-trimethylsilylpent-4-ynyl)oxolan-3-yl] acetate;carbon monoxide;cobalt is CC/C=C/C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1C[C@@H](OC(C)=O)[C@@H](CCC(O)C#C[Si](C)(C)C)O1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Co].
What is the InChIKey of [(2R,3R,5R)-5-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2-(3-hydroxy-5-trimethylsilylpent-4-ynyl)oxolan-3-yl] acetate;carbon monoxide;cobalt?
The InChIKey is NFNSJKJVYWWJRJ-GMPVNYRKSA-N. The full InChI is InChI=1S/C26H48O5Si2.6CO.2Co/c1-11-12-13-14-23(31-33(9,10)26(3,4)5)25-19-24(29-20(2)27)22(30-25)16-15-21(28)17-18-32(6,7)8;6*1-2;;/h12-13,21-25,28H,11,14-16,19H2,1-10H3;;;;;;;;/b13-12+;;;;;;;;/t21?,22-,23+,24-,25-;;;;;;;;/m1......../s1.
What are the key properties of [(2R,3R,5R)-5-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2-(3-hydroxy-5-trimethylsilylpent-4-ynyl)oxolan-3-yl] acetate;carbon monoxide;cobalt?
[(2R,3R,5R)-5-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2-(3-hydroxy-5-trimethylsilylpent-4-ynyl)oxolan-3-yl] acetate;carbon monoxide;cobalt has a molecular weight of 782.76 g/mol, XLogP of 5.61, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,5R)-5-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2-(3-hydroxy-5-trimethylsilylpent-4-ynyl)oxolan-3-yl] acetate;carbon monoxide;cobalt is sourced from PubChem (CID 134885250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).