but-3-enylbenzene;carbon monoxide;chromium;dimethyl(phenyl)phosphane

C20H23CrO2P — CID 134898226

IUPACbut-3-enylbenzene;carbon monoxide;chromium;dimethyl(phenyl)phosphane
SMILESC=CCCc1ccccc1.CP(C)c1ccccc1.[C-]#[O+].[C-]#[O+].[Cr]
InChIInChI=1S/C10H12.C8H11P.2CO.Cr/c1-2-3-7-10-8-5-4-6-9-10;1-9(2)8-6-4-3-5-7-8;2*1-2;/h2,4-6,8-9H,1,3,7H2;3-7H,1-2H3;;;
InChIKeyGXMRPDVVGZKHSQ-UHFFFAOYSA-N
MW378.37 g/mol
LogP4.78
Rot. Bonds4

About but-3-enylbenzene;carbon monoxide;chromium;dimethyl(phenyl)phosphane

but-3-enylbenzene;carbon monoxide;chromium;dimethyl(phenyl)phosphane (PubChem CID 134898226) has the molecular formula C20H23CrO2P and a molecular weight of 378.37 g/mol. Its IUPAC name is but-3-enylbenzene;carbon monoxide;chromium;dimethyl(phenyl)phosphane.

Molecular Properties

Compound Namebut-3-enylbenzene;carbon monoxide;chromium;dimethyl(phenyl)phosphane
PubChem CID134898226
Molecular FormulaC20H23CrO2P
Molecular Weight378.37 g/mol
Exact Mass378.08
IUPAC Namebut-3-enylbenzene;carbon monoxide;chromium;dimethyl(phenyl)phosphane
SMILESC=CCCc1ccccc1.CP(C)c1ccccc1.[C-]#[O+].[C-]#[O+].[Cr]
InChIInChI=1S/C10H12.C8H11P.2CO.Cr/c1-2-3-7-10-8-5-4-6-9-10;1-9(2)8-6-4-3-5-7-8;2*1-2;/h2,4-6,8-9H,1,3,7H2;3-7H,1-2H3;;;
InChIKeyGXMRPDVVGZKHSQ-UHFFFAOYSA-N
XLogP4.78
TPSA39.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.37
LogP ≤ 54.78
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze but-3-enylbenzene;carbon monoxide;chromium;dimethyl(phenyl)phosphane 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 but-3-enylbenzene;carbon monoxide;chromium;dimethyl(phenyl)phosphane?
The IUPAC name of but-3-enylbenzene;carbon monoxide;chromium;dimethyl(phenyl)phosphane (CID 134898226) is but-3-enylbenzene;carbon monoxide;chromium;dimethyl(phenyl)phosphane.
What is the SMILES notation for but-3-enylbenzene;carbon monoxide;chromium;dimethyl(phenyl)phosphane?
The canonical SMILES for but-3-enylbenzene;carbon monoxide;chromium;dimethyl(phenyl)phosphane is C=CCCc1ccccc1.CP(C)c1ccccc1.[C-]#[O+].[C-]#[O+].[Cr].
What is the InChIKey of but-3-enylbenzene;carbon monoxide;chromium;dimethyl(phenyl)phosphane?
The InChIKey is GXMRPDVVGZKHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12.C8H11P.2CO.Cr/c1-2-3-7-10-8-5-4-6-9-10;1-9(2)8-6-4-3-5-7-8;2*1-2;/h2,4-6,8-9H,1,3,7H2;3-7H,1-2H3;;;.
What are the key properties of but-3-enylbenzene;carbon monoxide;chromium;dimethyl(phenyl)phosphane?
but-3-enylbenzene;carbon monoxide;chromium;dimethyl(phenyl)phosphane has a molecular weight of 378.37 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-enylbenzene;carbon monoxide;chromium;dimethyl(phenyl)phosphane is sourced from PubChem (CID 134898226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).