[3-[(E)-but-2-enyl]-2-methoxyphenyl]-trimethylsilane;carbon monoxide;chromium

C17H22CrO4Si — CID 10872341

IUPAC[3-[(E)-but-2-enyl]-2-methoxyphenyl]-trimethylsilane;carbon monoxide;chromium
SMILESC/C=C/Cc1cccc([Si](C)(C)C)c1OC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]
InChIInChI=1S/C14H22OSi.3CO.Cr/c1-6-7-9-12-10-8-11-13(14(12)15-2)16(3,4)5;3*1-2;/h6-8,10-11H,9H2,1-5H3;;;;/b7-6+;;;;
InChIKeyHNCJSVICEVDRFS-MNPOOLNOSA-N
MW370.44 g/mol
LogP3.24
Rot. Bonds4

About [3-[(E)-but-2-enyl]-2-methoxyphenyl]-trimethylsilane;carbon monoxide;chromium

[3-[(E)-but-2-enyl]-2-methoxyphenyl]-trimethylsilane;carbon monoxide;chromium (PubChem CID 10872341) has the molecular formula C17H22CrO4Si and a molecular weight of 370.44 g/mol. Its IUPAC name is [3-[(E)-but-2-enyl]-2-methoxyphenyl]-trimethylsilane;carbon monoxide;chromium.

Molecular Properties

Compound Name[3-[(E)-but-2-enyl]-2-methoxyphenyl]-trimethylsilane;carbon monoxide;chromium
PubChem CID10872341
Molecular FormulaC17H22CrO4Si
Molecular Weight370.44 g/mol
Exact Mass370.07
IUPAC Name[3-[(E)-but-2-enyl]-2-methoxyphenyl]-trimethylsilane;carbon monoxide;chromium
SMILESC/C=C/Cc1cccc([Si](C)(C)C)c1OC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]
InChIInChI=1S/C14H22OSi.3CO.Cr/c1-6-7-9-12-10-8-11-13(14(12)15-2)16(3,4)5;3*1-2;/h6-8,10-11H,9H2,1-5H3;;;;/b7-6+;;;;
InChIKeyHNCJSVICEVDRFS-MNPOOLNOSA-N
XLogP3.24
TPSA68.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.44
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

Analyze [3-[(E)-but-2-enyl]-2-methoxyphenyl]-trimethylsilane;carbon monoxide;chromium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-[(E)-but-2-enyl]-2-methoxyphenyl]-trimethylsilane;carbon monoxide;chromium?
The IUPAC name of [3-[(E)-but-2-enyl]-2-methoxyphenyl]-trimethylsilane;carbon monoxide;chromium (CID 10872341) is [3-[(E)-but-2-enyl]-2-methoxyphenyl]-trimethylsilane;carbon monoxide;chromium.
What is the SMILES notation for [3-[(E)-but-2-enyl]-2-methoxyphenyl]-trimethylsilane;carbon monoxide;chromium?
The canonical SMILES for [3-[(E)-but-2-enyl]-2-methoxyphenyl]-trimethylsilane;carbon monoxide;chromium is C/C=C/Cc1cccc([Si](C)(C)C)c1OC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr].
What is the InChIKey of [3-[(E)-but-2-enyl]-2-methoxyphenyl]-trimethylsilane;carbon monoxide;chromium?
The InChIKey is HNCJSVICEVDRFS-MNPOOLNOSA-N. The full InChI is InChI=1S/C14H22OSi.3CO.Cr/c1-6-7-9-12-10-8-11-13(14(12)15-2)16(3,4)5;3*1-2;/h6-8,10-11H,9H2,1-5H3;;;;/b7-6+;;;;.
What are the key properties of [3-[(E)-but-2-enyl]-2-methoxyphenyl]-trimethylsilane;carbon monoxide;chromium?
[3-[(E)-but-2-enyl]-2-methoxyphenyl]-trimethylsilane;carbon monoxide;chromium has a molecular weight of 370.44 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(E)-but-2-enyl]-2-methoxyphenyl]-trimethylsilane;carbon monoxide;chromium is sourced from PubChem (CID 10872341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).