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

C13H20CrOSi — CID 13379863

IUPAC[ethoxy-(3-trimethylsilyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]chromium
SMILESCCOC(=[Cr])C1=C([Si](C)(C)C)C2C=CC1C2
InChIInChI=1S/C13H20OSi.Cr/c1-5-14-9-12-10-6-7-11(8-10)13(12)15(2,3)4;/h6-7,10-11H,5,8H2,1-4H3;
InChIKeyOOKIHAINGZTCQG-UHFFFAOYSA-N
MW272.38 g/mol
LogP3.08
Rot. Bonds4

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

[ethoxy-(3-trimethylsilyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]chromium (PubChem CID 13379863) has the molecular formula C13H20CrOSi and a molecular weight of 272.38 g/mol. Its IUPAC name is [ethoxy-(3-trimethylsilyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]chromium.

Molecular Properties

Compound Name[ethoxy-(3-trimethylsilyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]chromium
PubChem CID13379863
Molecular FormulaC13H20CrOSi
Molecular Weight272.38 g/mol
Exact Mass272.07
IUPAC Name[ethoxy-(3-trimethylsilyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]chromium
SMILESCCOC(=[Cr])C1=C([Si](C)(C)C)C2C=CC1C2
InChIInChI=1S/C13H20OSi.Cr/c1-5-14-9-12-10-6-7-11(8-10)13(12)15(2,3)4;/h6-7,10-11H,5,8H2,1-4H3;
InChIKeyOOKIHAINGZTCQG-UHFFFAOYSA-N
XLogP3.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 53.08
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
[5-(2,6-Dimethylhept-5-enyl)-2,5-dihydrofuran-2-yl]methyl-trimethylsilane
CID 134996885
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
[Methoxy-(3-trimethylsilyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]chromium
CID 13379859
(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 [ethoxy-(3-trimethylsilyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]chromium?
The IUPAC name of [ethoxy-(3-trimethylsilyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]chromium (CID 13379863) is [ethoxy-(3-trimethylsilyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]chromium.
What is the SMILES notation for [ethoxy-(3-trimethylsilyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]chromium?
The canonical SMILES for [ethoxy-(3-trimethylsilyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]chromium is CCOC(=[Cr])C1=C([Si](C)(C)C)C2C=CC1C2.
What is the InChIKey of [ethoxy-(3-trimethylsilyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]chromium?
The InChIKey is OOKIHAINGZTCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20OSi.Cr/c1-5-14-9-12-10-6-7-11(8-10)13(12)15(2,3)4;/h6-7,10-11H,5,8H2,1-4H3;.
What are the key properties of [ethoxy-(3-trimethylsilyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]chromium?
[ethoxy-(3-trimethylsilyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]chromium has a molecular weight of 272.38 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [ethoxy-(3-trimethylsilyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)methylidene]chromium is sourced from PubChem (CID 13379863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).