[methoxy-(3-trimethylsilyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]chromium

C12H18CrOSi — CID 13379859

IUPAC[methoxy-(3-trimethylsilyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]chromium
SMILESCOC(=[Cr])C1=C([Si](C)(C)C)C2C=CC1C2
InChIInChI=1S/C12H18OSi.Cr/c1-13-8-11-9-5-6-10(7-9)12(11)14(2,3)4;/h5-6,9-10H,7H2,1-4H3;
InChIKeyJNYUOMGEDRSFQC-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.69
Rot. Bonds3

About [methoxy-(3-trimethylsilyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]chromium

[methoxy-(3-trimethylsilyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]chromium (PubChem CID 13379859) has the molecular formula C12H18CrOSi and a molecular weight of 258.36 g/mol. Its IUPAC name is [methoxy-(3-trimethylsilyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]chromium.

Molecular Properties

Compound Name[methoxy-(3-trimethylsilyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]chromium
PubChem CID13379859
Molecular FormulaC12H18CrOSi
Molecular Weight258.36 g/mol
Exact Mass258.05
IUPAC Name[methoxy-(3-trimethylsilyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]chromium
SMILESCOC(=[Cr])C1=C([Si](C)(C)C)C2C=CC1C2
InChIInChI=1S/C12H18OSi.Cr/c1-13-8-11-9-5-6-10(7-9)12(11)14(2,3)4;/h5-6,9-10H,7H2,1-4H3;
InChIKeyJNYUOMGEDRSFQC-UHFFFAOYSA-N
XLogP2.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Carbon monoxide;[methoxy-(3-trimethylsilyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]chromium
CID 13379858
Carbon monoxide;[ethoxy-(3-trimethylsilyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]chromium
CID 13379862
Triethyl-[methoxy-(3-trimethylsilyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methyl]silane
CID 14922666
2-(Methoxymethyl)bicyclo[2.2.1]hepta-2,5-diene
CID 13395058
2-Bicyclo[2.2.1]hepta-2,5-dienylmethoxy-ethenyl-dimethylsilane
CID 69411849
triethyl-[methoxy-[(1R,4S)-3-trimethylsilyl-2-bicyclo[2.2.1]hepta-2,5-dienyl]methyl]silane
CID 10448835
trimethyl-[[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methoxymethyl]silane
CID 11053731
[Ethoxy-(3-trimethylsilyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]chromium
CID 13379863
[Methoxy-(3-methyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]chromium
CID 13379865
(1R,4S)-2-(methoxymethyl)bicyclo[2.2.1]hepta-2,5-diene
CID 101143800
(1S,4R)-2-(methoxymethyl)bicyclo[2.2.1]hepta-2,5-diene
CID 101944277
[(1R,4S)-2-bicyclo[2.2.1]hepta-2,5-dienyl]methoxy-tert-butyl-dimethylsilane
CID 102393441

Frequently Asked Questions

What is the IUPAC name of [methoxy-(3-trimethylsilyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]chromium?
The IUPAC name of [methoxy-(3-trimethylsilyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]chromium (CID 13379859) is [methoxy-(3-trimethylsilyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]chromium.
What is the SMILES notation for [methoxy-(3-trimethylsilyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]chromium?
The canonical SMILES for [methoxy-(3-trimethylsilyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]chromium is COC(=[Cr])C1=C([Si](C)(C)C)C2C=CC1C2.
What is the InChIKey of [methoxy-(3-trimethylsilyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]chromium?
The InChIKey is JNYUOMGEDRSFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18OSi.Cr/c1-13-8-11-9-5-6-10(7-9)12(11)14(2,3)4;/h5-6,9-10H,7H2,1-4H3;.
What are the key properties of [methoxy-(3-trimethylsilyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]chromium?
[methoxy-(3-trimethylsilyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]chromium has a molecular weight of 258.36 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [methoxy-(3-trimethylsilyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]chromium is sourced from PubChem (CID 13379859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).