carbon monoxide;(1-methoxy-3,3-diphenylpropylidene)chromium

C21H16CrO6 — CID 597500

IUPACcarbon monoxide;(1-methoxy-3,3-diphenylpropylidene)chromium
SMILESCOC(=[Cr])CC(c1ccccc1)c1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C16H16O.5CO.Cr/c1-17-13-12-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15;5*1-2;/h2-11,16H,12H2,1H3;;;;;;
InChIKeyZISKBUBULYVXSY-UHFFFAOYSA-N
MW416.35 g/mol
LogP3.34
Rot. Bonds5

About carbon monoxide;(1-methoxy-3,3-diphenylpropylidene)chromium

carbon monoxide;(1-methoxy-3,3-diphenylpropylidene)chromium (PubChem CID 597500) has the molecular formula C21H16CrO6 and a molecular weight of 416.35 g/mol. Its IUPAC name is carbon monoxide;(1-methoxy-3,3-diphenylpropylidene)chromium.

Molecular Properties

Compound Namecarbon monoxide;(1-methoxy-3,3-diphenylpropylidene)chromium
PubChem CID597500
Molecular FormulaC21H16CrO6
Molecular Weight416.35 g/mol
Exact Mass416.04
IUPAC Namecarbon monoxide;(1-methoxy-3,3-diphenylpropylidene)chromium
SMILESCOC(=[Cr])CC(c1ccccc1)c1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C16H16O.5CO.Cr/c1-17-13-12-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15;5*1-2;/h2-11,16H,12H2,1H3;;;;;;
InChIKeyZISKBUBULYVXSY-UHFFFAOYSA-N
XLogP3.34
TPSA108.73 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.35
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

carbon monoxide;(1-methoxy-3-phenylpent-4-enylidene)chromium
CID 138967855
methyl (3S)-3-(4-methoxyphenyl)-3-phenylpropanoate
CID 134965407
methyl 3-(4-iodophenyl)-3-phenylpropanoate
CID 23729956
N-methyl-3,3-diphenylpropanamide
CID 3373592
N-(2-methoxyethyl)-3,3-diphenylpropanamide
CID 2263132
dimethyl (3R,4R)-3,4-diphenylhexanedioate
CID 10969442
methyl 3-(3,5-difluorophenyl)-3-phenylpropanoate
CID 175534287
N-[(2R)-1-methoxypropan-2-yl]-3,3-diphenylpropanamide
CID 7299747
methyl 3-(3-bromophenyl)-3-phenylpropanoate
CID 166079744
N-methoxy-3-(4-methoxyphenyl)-3-phenylpropanamide
CID 144913522
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,3-diphenylpropanamide
CID 120888993
2-O-(benzhydrylamino) 1-O-methyl oxalate
CID 172828297

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;(1-methoxy-3,3-diphenylpropylidene)chromium?
The IUPAC name of carbon monoxide;(1-methoxy-3,3-diphenylpropylidene)chromium (CID 597500) is carbon monoxide;(1-methoxy-3,3-diphenylpropylidene)chromium.
What is the SMILES notation for carbon monoxide;(1-methoxy-3,3-diphenylpropylidene)chromium?
The canonical SMILES for carbon monoxide;(1-methoxy-3,3-diphenylpropylidene)chromium is COC(=[Cr])CC(c1ccccc1)c1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].
What is the InChIKey of carbon monoxide;(1-methoxy-3,3-diphenylpropylidene)chromium?
The InChIKey is ZISKBUBULYVXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O.5CO.Cr/c1-17-13-12-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15;5*1-2;/h2-11,16H,12H2,1H3;;;;;;.
What are the key properties of carbon monoxide;(1-methoxy-3,3-diphenylpropylidene)chromium?
carbon monoxide;(1-methoxy-3,3-diphenylpropylidene)chromium has a molecular weight of 416.35 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;(1-methoxy-3,3-diphenylpropylidene)chromium is sourced from PubChem (CID 597500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).