carbon monoxide;[(E)-1-(2-iodoethoxy)-3-phenylprop-2-enylidene]chromium

C16H11CrIO6 — CID 11294529

IUPACcarbon monoxide;[(E)-1-(2-iodoethoxy)-3-phenylprop-2-enylidene]chromium
SMILES[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]=C(/C=C/c1ccccc1)OCCI
InChIInChI=1S/C11H11IO.5CO.Cr/c12-8-10-13-9-4-7-11-5-2-1-3-6-11;5*1-2;/h1-7H,8,10H2;;;;;;/b7-4+;;;;;;
InChIKeyPJLHXSLDSQAZJR-IFAMVKFDSA-N
MW478.16 g/mol
LogP2.64
Rot. Bonds5

About carbon monoxide;[(E)-1-(2-iodoethoxy)-3-phenylprop-2-enylidene]chromium

carbon monoxide;[(E)-1-(2-iodoethoxy)-3-phenylprop-2-enylidene]chromium (PubChem CID 11294529) has the molecular formula C16H11CrIO6 and a molecular weight of 478.16 g/mol. Its IUPAC name is carbon monoxide;[(E)-1-(2-iodoethoxy)-3-phenylprop-2-enylidene]chromium.

Molecular Properties

Compound Namecarbon monoxide;[(E)-1-(2-iodoethoxy)-3-phenylprop-2-enylidene]chromium
PubChem CID11294529
Molecular FormulaC16H11CrIO6
Molecular Weight478.16 g/mol
Exact Mass477.90
IUPAC Namecarbon monoxide;[(E)-1-(2-iodoethoxy)-3-phenylprop-2-enylidene]chromium
SMILES[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]=C(/C=C/c1ccccc1)OCCI
InChIInChI=1S/C11H11IO.5CO.Cr/c12-8-10-13-9-4-7-11-5-2-1-3-6-11;5*1-2;/h1-7H,8,10H2;;;;;;/b7-4+;;;;;;
InChIKeyPJLHXSLDSQAZJR-IFAMVKFDSA-N
XLogP2.64
TPSA108.73 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.16
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(E)-1-(2-chloroethoxy)-3-phenylprop-2-enylidene]chromium
CID 11372600
ethane-1,2-diamine;(E)-3-phenylprop-2-enoic acid
CID 141192681
carbon monoxide;(3E)-2-ethoxy-4-phenylbuta-1,3-dien-1-one;iron
CID 10892788
3-[(E)-3-phenylprop-2-enoyl]oxypropylazanium
CID 58816851
2-acetyloxyethyl 3-phenylprop-2-enoate
CID 137478335
2-prop-2-enoyloxyethyl 3-phenylprop-2-enoate
CID 53424506
CID 11216330
CID 11216330
[(E)-1-ethoxy-3-phenylprop-2-enylidene]manganese
CID 11121228
2-(3-phenylprop-2-enoyloxy)acetic acid
CID 54392103
amino 3-phenylprop-2-enoate
CID 67189797
(3,4-difluoro-6-phenylhexa-1,3,5-trienyl)benzene
CID 53441080
(Z)-3-phenylprop-2-enoic acid
CID 5372954

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;[(E)-1-(2-iodoethoxy)-3-phenylprop-2-enylidene]chromium?
The IUPAC name of carbon monoxide;[(E)-1-(2-iodoethoxy)-3-phenylprop-2-enylidene]chromium (CID 11294529) is carbon monoxide;[(E)-1-(2-iodoethoxy)-3-phenylprop-2-enylidene]chromium.
What is the SMILES notation for carbon monoxide;[(E)-1-(2-iodoethoxy)-3-phenylprop-2-enylidene]chromium?
The canonical SMILES for carbon monoxide;[(E)-1-(2-iodoethoxy)-3-phenylprop-2-enylidene]chromium is [C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]=C(/C=C/c1ccccc1)OCCI.
What is the InChIKey of carbon monoxide;[(E)-1-(2-iodoethoxy)-3-phenylprop-2-enylidene]chromium?
The InChIKey is PJLHXSLDSQAZJR-IFAMVKFDSA-N. The full InChI is InChI=1S/C11H11IO.5CO.Cr/c12-8-10-13-9-4-7-11-5-2-1-3-6-11;5*1-2;/h1-7H,8,10H2;;;;;;/b7-4+;;;;;;.
What are the key properties of carbon monoxide;[(E)-1-(2-iodoethoxy)-3-phenylprop-2-enylidene]chromium?
carbon monoxide;[(E)-1-(2-iodoethoxy)-3-phenylprop-2-enylidene]chromium has a molecular weight of 478.16 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;[(E)-1-(2-iodoethoxy)-3-phenylprop-2-enylidene]chromium is sourced from PubChem (CID 11294529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).