tert-butyl-[3-(oxocan-2-yl)prop-2-ynoxy]-diphenylsilane;carbon monoxide;cobalt

C32H34Co2O8Si — CID 134882634

IUPACtert-butyl-[3-(oxocan-2-yl)prop-2-ynoxy]-diphenylsilane;carbon monoxide;cobalt
SMILESCC(C)(C)[Si](OCC#CC1CCCCCCO1)(c1ccccc1)c1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Co]
InChIInChI=1S/C26H34O2Si.6CO.2Co/c1-26(2,3)29(24-17-9-6-10-18-24,25-19-11-7-12-20-25)28-22-14-16-23-15-8-4-5-13-21-27-23;6*1-2;;/h6-7,9-12,17-20,23H,4-5,8,13,15,21-22H2,1-3H3;;;;;;;;
InChIKeyPLMINNMZCKTITP-UHFFFAOYSA-N
MW692.57 g/mol
LogP4.69
Rot. Bonds4

About tert-butyl-[3-(oxocan-2-yl)prop-2-ynoxy]-diphenylsilane;carbon monoxide;cobalt

tert-butyl-[3-(oxocan-2-yl)prop-2-ynoxy]-diphenylsilane;carbon monoxide;cobalt (PubChem CID 134882634) has the molecular formula C32H34Co2O8Si and a molecular weight of 692.57 g/mol. Its IUPAC name is tert-butyl-[3-(oxocan-2-yl)prop-2-ynoxy]-diphenylsilane;carbon monoxide;cobalt.

Molecular Properties

Compound Nametert-butyl-[3-(oxocan-2-yl)prop-2-ynoxy]-diphenylsilane;carbon monoxide;cobalt
PubChem CID134882634
Molecular FormulaC32H34Co2O8Si
Molecular Weight692.57 g/mol
Exact Mass692.07
IUPAC Nametert-butyl-[3-(oxocan-2-yl)prop-2-ynoxy]-diphenylsilane;carbon monoxide;cobalt
SMILESCC(C)(C)[Si](OCC#CC1CCCCCCO1)(c1ccccc1)c1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Co]
InChIInChI=1S/C26H34O2Si.6CO.2Co/c1-26(2,3)29(24-17-9-6-10-18-24,25-19-11-7-12-20-25)28-22-14-16-23-15-8-4-5-13-21-27-23;6*1-2;;/h6-7,9-12,17-20,23H,4-5,8,13,15,21-22H2,1-3H3;;;;;;;;
InChIKeyPLMINNMZCKTITP-UHFFFAOYSA-N
XLogP4.69
TPSA137.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500692.57
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(2R)-oxan-2-yl]ethanol
CID 15318695
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CID 56616386
[(2R,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxepan-3-yl] formate
CID 10949681
tert-butyl-[3-[(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-pyran-2-yl]prop-2-ynoxy]-diphenylsilane
CID 25229218
tert-butyl-[19-(oxan-2-yloxy)nonadeca-5,14-diynoxy]-diphenylsilane
CID 145367352
magnesium;tert-butyl-diphenyl-prop-2-ynoxysilane;bromide
CID 10916308
tert-butyl-[[(1R,2S)-2-[(Z)-5-(oxan-2-yloxy)pent-2-enyl]cyclopropyl]methoxy]-diphenylsilane
CID 166561282
(2R,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-3-(oxan-2-yloxy)pent-4-en-1-ol
CID 10972716
5-[tert-butyl(diphenyl)silyl]oxy-4,4-dimethyl-3-(oxan-2-yloxy)pentan-1-ol
CID 22244455
(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[1-(oxan-2-yloxy)cyclopropyl]ethanamine
CID 169181483
tert-butyl-[(2S)-2-(oxan-2-yloxy)-3-phenylmethoxypropoxy]-diphenylsilane
CID 10885655
(2R,3S)-2-[[(2R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]methyl]oxan-3-ol
CID 102426988

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[3-(oxocan-2-yl)prop-2-ynoxy]-diphenylsilane;carbon monoxide;cobalt?
The IUPAC name of tert-butyl-[3-(oxocan-2-yl)prop-2-ynoxy]-diphenylsilane;carbon monoxide;cobalt (CID 134882634) is tert-butyl-[3-(oxocan-2-yl)prop-2-ynoxy]-diphenylsilane;carbon monoxide;cobalt.
What is the SMILES notation for tert-butyl-[3-(oxocan-2-yl)prop-2-ynoxy]-diphenylsilane;carbon monoxide;cobalt?
The canonical SMILES for tert-butyl-[3-(oxocan-2-yl)prop-2-ynoxy]-diphenylsilane;carbon monoxide;cobalt is CC(C)(C)[Si](OCC#CC1CCCCCCO1)(c1ccccc1)c1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Co].
What is the InChIKey of tert-butyl-[3-(oxocan-2-yl)prop-2-ynoxy]-diphenylsilane;carbon monoxide;cobalt?
The InChIKey is PLMINNMZCKTITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34O2Si.6CO.2Co/c1-26(2,3)29(24-17-9-6-10-18-24,25-19-11-7-12-20-25)28-22-14-16-23-15-8-4-5-13-21-27-23;6*1-2;;/h6-7,9-12,17-20,23H,4-5,8,13,15,21-22H2,1-3H3;;;;;;;;.
What are the key properties of tert-butyl-[3-(oxocan-2-yl)prop-2-ynoxy]-diphenylsilane;carbon monoxide;cobalt?
tert-butyl-[3-(oxocan-2-yl)prop-2-ynoxy]-diphenylsilane;carbon monoxide;cobalt has a molecular weight of 692.57 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[3-(oxocan-2-yl)prop-2-ynoxy]-diphenylsilane;carbon monoxide;cobalt is sourced from PubChem (CID 134882634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).