[3-[diethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]-2-methoxy-5-methylphenyl]-(2,2-dimethylpropyl)-dimethylsilane

C28H48OSi2 — CID 68740299

IUPAC[3-[diethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]-2-methoxy-5-methylphenyl]-(2,2-dimethylpropyl)-dimethylsilane
SMILESCC[Si](CC)(C1=C(C)C(C)=C(C)C1C)c1cc(C)cc([Si](C)(C)CC(C)(C)C)c1OC
InChIInChI=1S/C28H48OSi2/c1-14-31(15-2,27-22(6)20(4)21(5)23(27)7)25-17-19(3)16-24(26(25)29-11)30(12,13)18-28(8,9)10/h16-17,22H,14-15,18H2,1-13H3
InChIKeyXOPIMCUAURGEBD-UHFFFAOYSA-N
MW456.86 g/mol
LogP7.50
Rot. Bonds7

About [3-[diethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]-2-methoxy-5-methylphenyl]-(2,2-dimethylpropyl)-dimethylsilane

[3-[diethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]-2-methoxy-5-methylphenyl]-(2,2-dimethylpropyl)-dimethylsilane (PubChem CID 68740299) has the molecular formula C28H48OSi2 and a molecular weight of 456.86 g/mol. Its IUPAC name is [3-[diethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]-2-methoxy-5-methylphenyl]-(2,2-dimethylpropyl)-dimethylsilane.

Molecular Properties

Compound Name[3-[diethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]-2-methoxy-5-methylphenyl]-(2,2-dimethylpropyl)-dimethylsilane
PubChem CID68740299
Molecular FormulaC28H48OSi2
Molecular Weight456.86 g/mol
Exact Mass456.32
IUPAC Name[3-[diethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]-2-methoxy-5-methylphenyl]-(2,2-dimethylpropyl)-dimethylsilane
SMILESCC[Si](CC)(C1=C(C)C(C)=C(C)C1C)c1cc(C)cc([Si](C)(C)CC(C)(C)C)c1OC
InChIInChI=1S/C28H48OSi2/c1-14-31(15-2,27-22(6)20(4)21(5)23(27)7)25-17-19(3)16-24(26(25)29-11)30(12,13)18-28(8,9)10/h16-17,22H,14-15,18H2,1-13H3
InChIKeyXOPIMCUAURGEBD-UHFFFAOYSA-N
XLogP7.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.86
LogP ≤ 57.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-[diethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]-2-methoxy-5-methylphenyl]-(2,2-dimethylpropyl)-dimethylsilane?
The IUPAC name of [3-[diethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]-2-methoxy-5-methylphenyl]-(2,2-dimethylpropyl)-dimethylsilane (CID 68740299) is [3-[diethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]-2-methoxy-5-methylphenyl]-(2,2-dimethylpropyl)-dimethylsilane.
What is the SMILES notation for [3-[diethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]-2-methoxy-5-methylphenyl]-(2,2-dimethylpropyl)-dimethylsilane?
The canonical SMILES for [3-[diethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]-2-methoxy-5-methylphenyl]-(2,2-dimethylpropyl)-dimethylsilane is CC[Si](CC)(C1=C(C)C(C)=C(C)C1C)c1cc(C)cc([Si](C)(C)CC(C)(C)C)c1OC.
What is the InChIKey of [3-[diethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]-2-methoxy-5-methylphenyl]-(2,2-dimethylpropyl)-dimethylsilane?
The InChIKey is XOPIMCUAURGEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H48OSi2/c1-14-31(15-2,27-22(6)20(4)21(5)23(27)7)25-17-19(3)16-24(26(25)29-11)30(12,13)18-28(8,9)10/h16-17,22H,14-15,18H2,1-13H3.
What are the key properties of [3-[diethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]-2-methoxy-5-methylphenyl]-(2,2-dimethylpropyl)-dimethylsilane?
[3-[diethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]-2-methoxy-5-methylphenyl]-(2,2-dimethylpropyl)-dimethylsilane has a molecular weight of 456.86 g/mol, XLogP of 7.50, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[diethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silyl]-2-methoxy-5-methylphenyl]-(2,2-dimethylpropyl)-dimethylsilane is sourced from PubChem (CID 68740299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).