[(E)-1-ethoxy-3-phenylprop-2-enylidene]manganese

C11H12MnO — CID 11121228

IUPAC[(E)-1-ethoxy-3-phenylprop-2-enylidene]manganese
SMILESCCOC(=[Mn])/C=C/c1ccccc1
InChIInChI=1S/C11H12O.Mn/c1-2-12-10-6-9-11-7-4-3-5-8-11;/h3-9H,2H2,1H3;/b9-6+;
InChIKeyOUKFLSLAMLYAMS-MLBSPLJJSA-N
MW215.15 g/mol
LogP2.41
Rot. Bonds4

About [(E)-1-ethoxy-3-phenylprop-2-enylidene]manganese

[(E)-1-ethoxy-3-phenylprop-2-enylidene]manganese (PubChem CID 11121228) has the molecular formula C11H12MnO and a molecular weight of 215.15 g/mol. Its IUPAC name is [(E)-1-ethoxy-3-phenylprop-2-enylidene]manganese.

Molecular Properties

Compound Name[(E)-1-ethoxy-3-phenylprop-2-enylidene]manganese
PubChem CID11121228
Molecular FormulaC11H12MnO
Molecular Weight215.15 g/mol
Exact Mass215.03
IUPAC Name[(E)-1-ethoxy-3-phenylprop-2-enylidene]manganese
SMILESCCOC(=[Mn])/C=C/c1ccccc1
InChIInChI=1S/C11H12O.Mn/c1-2-12-10-6-9-11-7-4-3-5-8-11;/h3-9H,2H2,1H3;/b9-6+;
InChIKeyOUKFLSLAMLYAMS-MLBSPLJJSA-N
XLogP2.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.15
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethyl carbamate;(E)-3-phenylprop-2-enoic acid
CID 70467325
ethyl acetate;(Z)-3-phenylprop-2-enoic acid
CID 174849368
ethyl 2-methylidene-4-phenylbut-3-enoate
CID 54282000
[(1Z,3E)-2-ethoxy-4-phenylbuta-1,3-dienyl]-trimethylsilane
CID 134993692
ethyl acetate;ethyl (E)-3-phenylprop-2-enoate
CID 163289975
ethyl carbamate;stilbene
CID 175156091
ethyl acetate;stilbene
CID 159556390
ethyl (E)-2,4-dioxo-6-phenylhex-5-enoate
CID 5374346
ethyl (E,2S)-2-hydroxy-4-oxo-6-phenylhex-5-enoate
CID 56851553
ethyl (E)-2,2-dimethyl-3-oxo-5-phenylpent-4-enoate
CID 102065413
ethyl (E)-3,5-dioxo-7-phenylhept-6-enoate
CID 14222370
ethyl (E,3E)-3-benzylidene-5-phenylpent-4-enoate
CID 101488319

Frequently Asked Questions

What is the IUPAC name of [(E)-1-ethoxy-3-phenylprop-2-enylidene]manganese?
The IUPAC name of [(E)-1-ethoxy-3-phenylprop-2-enylidene]manganese (CID 11121228) is [(E)-1-ethoxy-3-phenylprop-2-enylidene]manganese.
What is the SMILES notation for [(E)-1-ethoxy-3-phenylprop-2-enylidene]manganese?
The canonical SMILES for [(E)-1-ethoxy-3-phenylprop-2-enylidene]manganese is CCOC(=[Mn])/C=C/c1ccccc1.
What is the InChIKey of [(E)-1-ethoxy-3-phenylprop-2-enylidene]manganese?
The InChIKey is OUKFLSLAMLYAMS-MLBSPLJJSA-N. The full InChI is InChI=1S/C11H12O.Mn/c1-2-12-10-6-9-11-7-4-3-5-8-11;/h3-9H,2H2,1H3;/b9-6+;.
What are the key properties of [(E)-1-ethoxy-3-phenylprop-2-enylidene]manganese?
[(E)-1-ethoxy-3-phenylprop-2-enylidene]manganese has a molecular weight of 215.15 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-ethoxy-3-phenylprop-2-enylidene]manganese is sourced from PubChem (CID 11121228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).