7-bicyclo[4.2.0]octa-1,3,5-trienyl(trimethyl)silane;carbon monoxide;chromium(6+)

C14H16CrO3Si+6 — CID 11986180

IUPAC7-bicyclo[4.2.0]octa-1,3,5-trienyl(trimethyl)silane;carbon monoxide;chromium(6+)
SMILESC[Si](C)(C)C1Cc2ccccc21.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr+6]
InChIInChI=1S/C11H16Si.3CO.Cr/c1-12(2,3)11-8-9-6-4-5-7-10(9)11;3*1-2;/h4-7,11H,8H2,1-3H3;;;;/q;;;;+6
InChIKeyXHCSPSYSKXQZKE-UHFFFAOYSA-N
MW312.36 g/mol
LogP3.09
Rot. Bonds1

About 7-bicyclo[4.2.0]octa-1,3,5-trienyl(trimethyl)silane;carbon monoxide;chromium(6+)

7-bicyclo[4.2.0]octa-1,3,5-trienyl(trimethyl)silane;carbon monoxide;chromium(6+) (PubChem CID 11986180) has the molecular formula C14H16CrO3Si+6 and a molecular weight of 312.36 g/mol. Its IUPAC name is 7-bicyclo[4.2.0]octa-1,3,5-trienyl(trimethyl)silane;carbon monoxide;chromium(6+).

Molecular Properties

Compound Name7-bicyclo[4.2.0]octa-1,3,5-trienyl(trimethyl)silane;carbon monoxide;chromium(6+)
PubChem CID11986180
Molecular FormulaC14H16CrO3Si+6
Molecular Weight312.36 g/mol
Exact Mass312.02
IUPAC Name7-bicyclo[4.2.0]octa-1,3,5-trienyl(trimethyl)silane;carbon monoxide;chromium(6+)
SMILESC[Si](C)(C)C1Cc2ccccc21.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr+6]
InChIInChI=1S/C11H16Si.3CO.Cr/c1-12(2,3)11-8-9-6-4-5-7-10(9)11;3*1-2;/h4-7,11H,8H2,1-3H3;;;;/q;;;;+6
InChIKeyXHCSPSYSKXQZKE-UHFFFAOYSA-N
XLogP3.09
TPSA59.70 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 7-bicyclo[4.2.0]octa-1,3,5-trienyl(trimethyl)silane;carbon monoxide;chromium(6+)?
The IUPAC name of 7-bicyclo[4.2.0]octa-1,3,5-trienyl(trimethyl)silane;carbon monoxide;chromium(6+) (CID 11986180) is 7-bicyclo[4.2.0]octa-1,3,5-trienyl(trimethyl)silane;carbon monoxide;chromium(6+).
What is the SMILES notation for 7-bicyclo[4.2.0]octa-1,3,5-trienyl(trimethyl)silane;carbon monoxide;chromium(6+)?
The canonical SMILES for 7-bicyclo[4.2.0]octa-1,3,5-trienyl(trimethyl)silane;carbon monoxide;chromium(6+) is C[Si](C)(C)C1Cc2ccccc21.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr+6].
What is the InChIKey of 7-bicyclo[4.2.0]octa-1,3,5-trienyl(trimethyl)silane;carbon monoxide;chromium(6+)?
The InChIKey is XHCSPSYSKXQZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Si.3CO.Cr/c1-12(2,3)11-8-9-6-4-5-7-10(9)11;3*1-2;/h4-7,11H,8H2,1-3H3;;;;/q;;;;+6.
What are the key properties of 7-bicyclo[4.2.0]octa-1,3,5-trienyl(trimethyl)silane;carbon monoxide;chromium(6+)?
7-bicyclo[4.2.0]octa-1,3,5-trienyl(trimethyl)silane;carbon monoxide;chromium(6+) has a molecular weight of 312.36 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bicyclo[4.2.0]octa-1,3,5-trienyl(trimethyl)silane;carbon monoxide;chromium(6+) is sourced from PubChem (CID 11986180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).