cyclopenta-1,3-diene;2-cyclopenta-1,3-dien-1-ylethyl(triethoxy)silane;iron(2+)

C18H28FeO3Si — CID 157273131

IUPACcyclopenta-1,3-diene;2-cyclopenta-1,3-dien-1-ylethyl(triethoxy)silane;iron(2+)
SMILESCCO[Si](CCc1ccc[cH-]1)(OCC)OCC.[Fe+2].c1cc[cH-]c1
InChIInChI=1S/C13H23O3Si.C5H5.Fe/c1-4-14-17(15-5-2,16-6-3)12-11-13-9-7-8-10-13;1-2-4-5-3-1;/h7-10H,4-6,11-12H2,1-3H3;1-5H;/q2*-1;+2
InChIKeyAYTSSQJFOKKBEJ-UHFFFAOYSA-N
MW376.35 g/mol
LogP4.40
Rot. Bonds9

About cyclopenta-1,3-diene;2-cyclopenta-1,3-dien-1-ylethyl(triethoxy)silane;iron(2+)

cyclopenta-1,3-diene;2-cyclopenta-1,3-dien-1-ylethyl(triethoxy)silane;iron(2+) (PubChem CID 157273131) has the molecular formula C18H28FeO3Si and a molecular weight of 376.35 g/mol. Its IUPAC name is cyclopenta-1,3-diene;2-cyclopenta-1,3-dien-1-ylethyl(triethoxy)silane;iron(2+).

Molecular Properties

Compound Namecyclopenta-1,3-diene;2-cyclopenta-1,3-dien-1-ylethyl(triethoxy)silane;iron(2+)
PubChem CID157273131
Molecular FormulaC18H28FeO3Si
Molecular Weight376.35 g/mol
Exact Mass376.12
IUPAC Namecyclopenta-1,3-diene;2-cyclopenta-1,3-dien-1-ylethyl(triethoxy)silane;iron(2+)
SMILESCCO[Si](CCc1ccc[cH-]1)(OCC)OCC.[Fe+2].c1cc[cH-]c1
InChIInChI=1S/C13H23O3Si.C5H5.Fe/c1-4-14-17(15-5-2,16-6-3)12-11-13-9-7-8-10-13;1-2-4-5-3-1;/h7-10H,4-6,11-12H2,1-3H3;1-5H;/q2*-1;+2
InChIKeyAYTSSQJFOKKBEJ-UHFFFAOYSA-N
XLogP4.40
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.35
LogP ≤ 54.40
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'}

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Related Compounds

bis(1-butylcyclopenta-1,3-diene);titanium(2+)
CID 159034563
1-butylcyclopenta-1,3-diene;hafnium;dichloride
CID 158111562
carbanide;bis(cyclopenta-1,3-diene);1-ethylcyclopenta-1,3-diene;bis(iron(4+));methane;1-methylcyclopenta-1,3-diene
CID 158519657
triethoxy(2-pyridin-4-ylethyl)silane
CID 18757533
triethoxy(2-pyridin-3-ylethyl)silane
CID 71105870
triethoxy-[2-(1H-pyrrol-3-yl)ethyl]silane
CID 174857593
2-[4-(1-bromoethyl)phenyl]ethyl-triethoxysilane
CID 66846155
triethoxy(2-triphenylsilylethyl)silane
CID 71398175
2-(2,3-dimethoxyphenyl)ethyl-triethoxysilane
CID 90120995
triethoxy-[2-(2,3,6-trimethoxyphenyl)ethyl]silane
CID 90121012
1-butylcyclopenta-1,3-diene;2,3-dimethylbuta-1,3-diene;hafnium
CID 159836461
diphenyl-[3-[phenyl(2-triethoxysilylethyl)phosphanyl]propyl]phosphane
CID 11181263

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;2-cyclopenta-1,3-dien-1-ylethyl(triethoxy)silane;iron(2+)?
The IUPAC name of cyclopenta-1,3-diene;2-cyclopenta-1,3-dien-1-ylethyl(triethoxy)silane;iron(2+) (CID 157273131) is cyclopenta-1,3-diene;2-cyclopenta-1,3-dien-1-ylethyl(triethoxy)silane;iron(2+).
What is the SMILES notation for cyclopenta-1,3-diene;2-cyclopenta-1,3-dien-1-ylethyl(triethoxy)silane;iron(2+)?
The canonical SMILES for cyclopenta-1,3-diene;2-cyclopenta-1,3-dien-1-ylethyl(triethoxy)silane;iron(2+) is CCO[Si](CCc1ccc[cH-]1)(OCC)OCC.[Fe+2].c1cc[cH-]c1.
What is the InChIKey of cyclopenta-1,3-diene;2-cyclopenta-1,3-dien-1-ylethyl(triethoxy)silane;iron(2+)?
The InChIKey is AYTSSQJFOKKBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23O3Si.C5H5.Fe/c1-4-14-17(15-5-2,16-6-3)12-11-13-9-7-8-10-13;1-2-4-5-3-1;/h7-10H,4-6,11-12H2,1-3H3;1-5H;/q2*-1;+2.
What are the key properties of cyclopenta-1,3-diene;2-cyclopenta-1,3-dien-1-ylethyl(triethoxy)silane;iron(2+)?
cyclopenta-1,3-diene;2-cyclopenta-1,3-dien-1-ylethyl(triethoxy)silane;iron(2+) has a molecular weight of 376.35 g/mol, XLogP of 4.40, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;2-cyclopenta-1,3-dien-1-ylethyl(triethoxy)silane;iron(2+) is sourced from PubChem (CID 157273131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).