cyclopenta-1,3-diene;[(Z)-4-cyclopenta-2,4-dien-1-ylbut-1-enyl]-triethoxysilane;iron(2+)

C20H30FeO3Si — CID 170995252

IUPACcyclopenta-1,3-diene;[(Z)-4-cyclopenta-2,4-dien-1-ylbut-1-enyl]-triethoxysilane;iron(2+)
SMILESCCO[Si](/C=C\CC[c-]1cccc1)(OCC)OCC.[Fe+2].c1cc[cH-]c1
InChIInChI=1S/C15H25O3Si.C5H5.Fe/c1-4-16-19(17-5-2,18-6-3)14-10-9-13-15-11-7-8-12-15;1-2-4-5-3-1;/h7-8,10-12,14H,4-6,9,13H2,1-3H3;1-5H;/q2*-1;+2/b14-10-;;
InChIKeyLCPMDOGKXKJVGA-UFMFWQRBSA-N
MW402.39 g/mol
LogP4.88
Rot. Bonds10

About cyclopenta-1,3-diene;[(Z)-4-cyclopenta-2,4-dien-1-ylbut-1-enyl]-triethoxysilane;iron(2+)

cyclopenta-1,3-diene;[(Z)-4-cyclopenta-2,4-dien-1-ylbut-1-enyl]-triethoxysilane;iron(2+) (PubChem CID 170995252) has the molecular formula C20H30FeO3Si and a molecular weight of 402.39 g/mol. Its IUPAC name is cyclopenta-1,3-diene;[(Z)-4-cyclopenta-2,4-dien-1-ylbut-1-enyl]-triethoxysilane;iron(2+).

Molecular Properties

Compound Namecyclopenta-1,3-diene;[(Z)-4-cyclopenta-2,4-dien-1-ylbut-1-enyl]-triethoxysilane;iron(2+)
PubChem CID170995252
Molecular FormulaC20H30FeO3Si
Molecular Weight402.39 g/mol
Exact Mass402.13
IUPAC Namecyclopenta-1,3-diene;[(Z)-4-cyclopenta-2,4-dien-1-ylbut-1-enyl]-triethoxysilane;iron(2+)
SMILESCCO[Si](/C=C\CC[c-]1cccc1)(OCC)OCC.[Fe+2].c1cc[cH-]c1
InChIInChI=1S/C15H25O3Si.C5H5.Fe/c1-4-16-19(17-5-2,18-6-3)14-10-9-13-15-11-7-8-12-15;1-2-4-5-3-1;/h7-8,10-12,14H,4-6,9,13H2,1-3H3;1-5H;/q2*-1;+2/b14-10-;;
InChIKeyLCPMDOGKXKJVGA-UFMFWQRBSA-N
XLogP4.88
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.39
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze cyclopenta-1,3-diene;[(Z)-4-cyclopenta-2,4-dien-1-ylbut-1-enyl]-triethoxysilane;iron(2+) with MolForge

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Related Compounds

cyclopenta-1,3-diene;[(E)-1-cyclopenta-2,4-dien-1-ylprop-1-enyl]-triethoxysilane;iron(2+)
CID 170995244
cyclopenta-1,3-diene;5-ethylcyclopenta-1,3-diene;iron(2+)
CID 15776323
triethoxy-[(E)-hex-1-enyl]silane
CID 11184190
triethoxy(undec-1-enyl)silane
CID 140758879
triethoxy(icos-1-enyl)silane
CID 140638362
triethoxy-[(1E)-octa-1,7-dienyl]silane
CID 22726340
triethoxy(prop-1-enyl)silane
CID 54075430
cyclopenta-1,3-diene;2-cyclopenta-2,4-dien-1-yl-N,N-dimethylethanamine;zirconium(4+);dichloride
CID 159810110
cyclopenta-1,3-diene;1-cyclopenta-2,4-dien-1-yl-N,N-dimethylmethanamine;ruthenium(2+)
CID 15807877
cyclopenta-1,3-diene;iron(2+);5-prop-1-enylcyclopenta-1,3-diene
CID 161401239
triethyl [(E)-6-triethoxysilylhex-5-enyl] silicate
CID 139977986
azanide;chromium(4+);bis(cyclopenta-1,3-diene)
CID 175973666

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;[(Z)-4-cyclopenta-2,4-dien-1-ylbut-1-enyl]-triethoxysilane;iron(2+)?
The IUPAC name of cyclopenta-1,3-diene;[(Z)-4-cyclopenta-2,4-dien-1-ylbut-1-enyl]-triethoxysilane;iron(2+) (CID 170995252) is cyclopenta-1,3-diene;[(Z)-4-cyclopenta-2,4-dien-1-ylbut-1-enyl]-triethoxysilane;iron(2+).
What is the SMILES notation for cyclopenta-1,3-diene;[(Z)-4-cyclopenta-2,4-dien-1-ylbut-1-enyl]-triethoxysilane;iron(2+)?
The canonical SMILES for cyclopenta-1,3-diene;[(Z)-4-cyclopenta-2,4-dien-1-ylbut-1-enyl]-triethoxysilane;iron(2+) is CCO[Si](/C=C\CC[c-]1cccc1)(OCC)OCC.[Fe+2].c1cc[cH-]c1.
What is the InChIKey of cyclopenta-1,3-diene;[(Z)-4-cyclopenta-2,4-dien-1-ylbut-1-enyl]-triethoxysilane;iron(2+)?
The InChIKey is LCPMDOGKXKJVGA-UFMFWQRBSA-N. The full InChI is InChI=1S/C15H25O3Si.C5H5.Fe/c1-4-16-19(17-5-2,18-6-3)14-10-9-13-15-11-7-8-12-15;1-2-4-5-3-1;/h7-8,10-12,14H,4-6,9,13H2,1-3H3;1-5H;/q2*-1;+2/b14-10-;;.
What are the key properties of cyclopenta-1,3-diene;[(Z)-4-cyclopenta-2,4-dien-1-ylbut-1-enyl]-triethoxysilane;iron(2+)?
cyclopenta-1,3-diene;[(Z)-4-cyclopenta-2,4-dien-1-ylbut-1-enyl]-triethoxysilane;iron(2+) has a molecular weight of 402.39 g/mol, XLogP of 4.88, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;[(Z)-4-cyclopenta-2,4-dien-1-ylbut-1-enyl]-triethoxysilane;iron(2+) is sourced from PubChem (CID 170995252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).