carbon monoxide;(1-methoxy-3-phenylpent-4-enylidene)chromium

C17H14CrO6 — CID 138967855

IUPACcarbon monoxide;(1-methoxy-3-phenylpent-4-enylidene)chromium
SMILESC=CC(CC(=[Cr])OC)c1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C12H14O.5CO.Cr/c1-3-11(9-10-13-2)12-7-5-4-6-8-12;5*1-2;/h3-8,11H,1,9H2,2H3;;;;;;
InChIKeyLAWVFNZOVWSGNC-UHFFFAOYSA-N
MW366.29 g/mol
LogP2.48
Rot. Bonds5

About carbon monoxide;(1-methoxy-3-phenylpent-4-enylidene)chromium

carbon monoxide;(1-methoxy-3-phenylpent-4-enylidene)chromium (PubChem CID 138967855) has the molecular formula C17H14CrO6 and a molecular weight of 366.29 g/mol. Its IUPAC name is carbon monoxide;(1-methoxy-3-phenylpent-4-enylidene)chromium.

Molecular Properties

Compound Namecarbon monoxide;(1-methoxy-3-phenylpent-4-enylidene)chromium
PubChem CID138967855
Molecular FormulaC17H14CrO6
Molecular Weight366.29 g/mol
Exact Mass366.02
IUPAC Namecarbon monoxide;(1-methoxy-3-phenylpent-4-enylidene)chromium
SMILESC=CC(CC(=[Cr])OC)c1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C12H14O.5CO.Cr/c1-3-11(9-10-13-2)12-7-5-4-6-8-12;5*1-2;/h3-8,11H,1,9H2,2H3;;;;;;
InChIKeyLAWVFNZOVWSGNC-UHFFFAOYSA-N
XLogP2.48
TPSA108.73 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.29
LogP ≤ 52.48
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

carbon monoxide;(1-methoxy-3,3-diphenylpropylidene)chromium
CID 597500
methyl (3S)-3-phenylpent-4-enoate
CID 10511884
(3S)-3-phenylpent-4-enoic acid
CID 92981953
methyl 3-[[(3S)-3-phenylpent-4-enoyl]amino]propanoate
CID 124572872
carbanide;carbon monoxide;chromium(2+);[3-[(1E)-2-methoxy-4-phenylhexa-1,5-dienyl]-2-benzofuran-3-id-1-ylidene]-dimethylazanium
CID 138972193
N-(4-methoxypyrrolidin-3-yl)-3-phenylpent-4-enamide
CID 136575983
(3R)-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-3-phenylpent-4-enamide
CID 99777059
3-[methoxy(3-phenylpent-4-enoyl)amino]butanoic acid
CID 138014405
methyl (3S)-3-(3-chlorophenyl)pent-4-enoate
CID 102598497
(3S)-N-methyl-3-phenylpent-4-en-1-amine
CID 143676843
3-[(1E)-2-methoxy-4-phenylhexa-1,5-dienyl]-N,N-dimethyl-2-benzofuran-1-amine
CID 138972745
5-phenylhepta-1,6-dien-3-amine
CID 21390037

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;(1-methoxy-3-phenylpent-4-enylidene)chromium?
The IUPAC name of carbon monoxide;(1-methoxy-3-phenylpent-4-enylidene)chromium (CID 138967855) is carbon monoxide;(1-methoxy-3-phenylpent-4-enylidene)chromium.
What is the SMILES notation for carbon monoxide;(1-methoxy-3-phenylpent-4-enylidene)chromium?
The canonical SMILES for carbon monoxide;(1-methoxy-3-phenylpent-4-enylidene)chromium is C=CC(CC(=[Cr])OC)c1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].
What is the InChIKey of carbon monoxide;(1-methoxy-3-phenylpent-4-enylidene)chromium?
The InChIKey is LAWVFNZOVWSGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O.5CO.Cr/c1-3-11(9-10-13-2)12-7-5-4-6-8-12;5*1-2;/h3-8,11H,1,9H2,2H3;;;;;;.
What are the key properties of carbon monoxide;(1-methoxy-3-phenylpent-4-enylidene)chromium?
carbon monoxide;(1-methoxy-3-phenylpent-4-enylidene)chromium has a molecular weight of 366.29 g/mol, XLogP of 2.48, 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-phenylpent-4-enylidene)chromium is sourced from PubChem (CID 138967855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).