carbon monoxide;[(E)-1-methoxy-3-(3-trimethylsilyloxyphenyl)prop-2-enylidene]chromium

C18H18CrO7Si — CID 10895189

IUPACcarbon monoxide;[(E)-1-methoxy-3-(3-trimethylsilyloxyphenyl)prop-2-enylidene]chromium
SMILESCOC(=[Cr])/C=C/c1cccc(O[Si](C)(C)C)c1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C13H18O2Si.5CO.Cr/c1-14-10-6-8-12-7-5-9-13(11-12)15-16(2,3)4;5*1-2;/h5-9,11H,1-4H3;;;;;;/b8-6+;;;;;;
InChIKeyWBOOXKGURQZVGZ-ITNUBCEGSA-N
MW426.42 g/mol
LogP3.05
Rot. Bonds5

About carbon monoxide;[(E)-1-methoxy-3-(3-trimethylsilyloxyphenyl)prop-2-enylidene]chromium

carbon monoxide;[(E)-1-methoxy-3-(3-trimethylsilyloxyphenyl)prop-2-enylidene]chromium (PubChem CID 10895189) has the molecular formula C18H18CrO7Si and a molecular weight of 426.42 g/mol. Its IUPAC name is carbon monoxide;[(E)-1-methoxy-3-(3-trimethylsilyloxyphenyl)prop-2-enylidene]chromium.

Molecular Properties

Compound Namecarbon monoxide;[(E)-1-methoxy-3-(3-trimethylsilyloxyphenyl)prop-2-enylidene]chromium
PubChem CID10895189
Molecular FormulaC18H18CrO7Si
Molecular Weight426.42 g/mol
Exact Mass426.02
IUPAC Namecarbon monoxide;[(E)-1-methoxy-3-(3-trimethylsilyloxyphenyl)prop-2-enylidene]chromium
SMILESCOC(=[Cr])/C=C/c1cccc(O[Si](C)(C)C)c1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C13H18O2Si.5CO.Cr/c1-14-10-6-8-12-7-5-9-13(11-12)15-16(2,3)4;5*1-2;/h5-9,11H,1-4H3;;;;;;/b8-6+;;;;;;
InChIKeyWBOOXKGURQZVGZ-ITNUBCEGSA-N
XLogP3.05
TPSA117.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.42
LogP ≤ 53.05
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'}

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Related Compounds

4-ethyl-3-[(E)-2-(3-methoxyphenyl)ethenyl]hex-3-enoic acid
CID 135033927
tri(propan-2-yl)silyl 3-[3-tri(propan-2-yl)silyloxyphenyl]prop-2-enoate
CID 155661267
(E)-3-(3-methoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]prop-2-enamide
CID 82723936
methyl (E)-3-(3-phenoxyphenyl)prop-2-enoate
CID 10422431
methyl (E)-3-(4-trimethylsilyloxyphenyl)prop-2-enoate
CID 5377244
3-[3-(4-methoxyphenoxy)phenyl]prop-2-enoic acid
CID 54322707
(Z)-4-(3-methoxyphenyl)-2-oxobut-3-enoic acid
CID 93043949
3-(3-methoxyphenyl)-N-(1H-pyrazol-4-yl)prop-2-enamide
CID 47177700
[3-[(Z)-2-(3-methoxycarbonyloxyphenyl)ethenyl]phenyl] methyl carbonate
CID 67721243
(E)-1-(3-methoxyphenyl)-4,4-dimethylpent-1-en-3-one
CID 5388509
(2E,4Z)-5-(3-methoxyphenyl)penta-2,4-dienoic acid
CID 86306504
3-[(E)-2-(3-methoxyphenyl)ethenyl]phenol
CID 11401879

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;[(E)-1-methoxy-3-(3-trimethylsilyloxyphenyl)prop-2-enylidene]chromium?
The IUPAC name of carbon monoxide;[(E)-1-methoxy-3-(3-trimethylsilyloxyphenyl)prop-2-enylidene]chromium (CID 10895189) is carbon monoxide;[(E)-1-methoxy-3-(3-trimethylsilyloxyphenyl)prop-2-enylidene]chromium.
What is the SMILES notation for carbon monoxide;[(E)-1-methoxy-3-(3-trimethylsilyloxyphenyl)prop-2-enylidene]chromium?
The canonical SMILES for carbon monoxide;[(E)-1-methoxy-3-(3-trimethylsilyloxyphenyl)prop-2-enylidene]chromium is COC(=[Cr])/C=C/c1cccc(O[Si](C)(C)C)c1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].
What is the InChIKey of carbon monoxide;[(E)-1-methoxy-3-(3-trimethylsilyloxyphenyl)prop-2-enylidene]chromium?
The InChIKey is WBOOXKGURQZVGZ-ITNUBCEGSA-N. The full InChI is InChI=1S/C13H18O2Si.5CO.Cr/c1-14-10-6-8-12-7-5-9-13(11-12)15-16(2,3)4;5*1-2;/h5-9,11H,1-4H3;;;;;;/b8-6+;;;;;;.
What are the key properties of carbon monoxide;[(E)-1-methoxy-3-(3-trimethylsilyloxyphenyl)prop-2-enylidene]chromium?
carbon monoxide;[(E)-1-methoxy-3-(3-trimethylsilyloxyphenyl)prop-2-enylidene]chromium has a molecular weight of 426.42 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;[(E)-1-methoxy-3-(3-trimethylsilyloxyphenyl)prop-2-enylidene]chromium is sourced from PubChem (CID 10895189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).