carbon monoxide;2-cyclohexa-1,3-dien-1-ylethynyl(trimethyl)silane;iron

C14H16FeO3Si — CID 10969099

IUPACcarbon monoxide;2-cyclohexa-1,3-dien-1-ylethynyl(trimethyl)silane;iron
SMILESC[Si](C)(C)C#CC1=CC=CCC1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]
InChIInChI=1S/C11H16Si.3CO.Fe/c1-12(2,3)10-9-11-7-5-4-6-8-11;3*1-2;/h4-5,7H,6,8H2,1-3H3;;;;
InChIKeySXIBTBPYMHRGHB-UHFFFAOYSA-N
MW316.21 g/mol
LogP3.03
Rot. Bonds

About carbon monoxide;2-cyclohexa-1,3-dien-1-ylethynyl(trimethyl)silane;iron

carbon monoxide;2-cyclohexa-1,3-dien-1-ylethynyl(trimethyl)silane;iron (PubChem CID 10969099) has the molecular formula C14H16FeO3Si and a molecular weight of 316.21 g/mol. Its IUPAC name is carbon monoxide;2-cyclohexa-1,3-dien-1-ylethynyl(trimethyl)silane;iron.

Molecular Properties

Compound Namecarbon monoxide;2-cyclohexa-1,3-dien-1-ylethynyl(trimethyl)silane;iron
PubChem CID10969099
Molecular FormulaC14H16FeO3Si
Molecular Weight316.21 g/mol
Exact Mass316.02
IUPAC Namecarbon monoxide;2-cyclohexa-1,3-dien-1-ylethynyl(trimethyl)silane;iron
SMILESC[Si](C)(C)C#CC1=CC=CCC1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]
InChIInChI=1S/C11H16Si.3CO.Fe/c1-12(2,3)10-9-11-7-5-4-6-8-11;3*1-2;/h4-5,7H,6,8H2,1-3H3;;;;
InChIKeySXIBTBPYMHRGHB-UHFFFAOYSA-N
XLogP3.03
TPSA59.70 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.21
LogP ≤ 53.03
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carbon monoxide;2-cyclohexa-1,3-dien-1-ylethynyl(trimethyl)silane;iron?
The IUPAC name of carbon monoxide;2-cyclohexa-1,3-dien-1-ylethynyl(trimethyl)silane;iron (CID 10969099) is carbon monoxide;2-cyclohexa-1,3-dien-1-ylethynyl(trimethyl)silane;iron.
What is the SMILES notation for carbon monoxide;2-cyclohexa-1,3-dien-1-ylethynyl(trimethyl)silane;iron?
The canonical SMILES for carbon monoxide;2-cyclohexa-1,3-dien-1-ylethynyl(trimethyl)silane;iron is C[Si](C)(C)C#CC1=CC=CCC1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe].
What is the InChIKey of carbon monoxide;2-cyclohexa-1,3-dien-1-ylethynyl(trimethyl)silane;iron?
The InChIKey is SXIBTBPYMHRGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Si.3CO.Fe/c1-12(2,3)10-9-11-7-5-4-6-8-11;3*1-2;/h4-5,7H,6,8H2,1-3H3;;;;.
What are the key properties of carbon monoxide;2-cyclohexa-1,3-dien-1-ylethynyl(trimethyl)silane;iron?
carbon monoxide;2-cyclohexa-1,3-dien-1-ylethynyl(trimethyl)silane;iron has a molecular weight of 316.21 g/mol, XLogP of 3.03, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;2-cyclohexa-1,3-dien-1-ylethynyl(trimethyl)silane;iron is sourced from PubChem (CID 10969099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).