(5-tert-butyl-6-methoxy-1,2,3-trimethyl-4-methylsilylcyclohexa-2,4-dien-1-yl)-diethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane

C28H50OSi2 — CID 173106303

IUPAC(5-tert-butyl-6-methoxy-1,2,3-trimethyl-4-methylsilylcyclohexa-2,4-dien-1-yl)-diethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
SMILESCC[Si](CC)(C1=C(C)C(C)=C(C)C1C)C1(C)C(C)=C(C)C([SiH2]C)=C(C(C)(C)C)C1OC
InChIInChI=1S/C28H50OSi2/c1-15-31(16-2,25-19(5)17(3)18(4)20(25)6)28(12)22(8)21(7)24(30-14)23(26(28)29-13)27(9,10)11/h19,26H,15-16,30H2,1-14H3
InChIKeyYBARCOCQSDQLEB-UHFFFAOYSA-N
MW458.88 g/mol
LogP7.96
Rot. Bonds6

About (5-tert-butyl-6-methoxy-1,2,3-trimethyl-4-methylsilylcyclohexa-2,4-dien-1-yl)-diethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane

(5-tert-butyl-6-methoxy-1,2,3-trimethyl-4-methylsilylcyclohexa-2,4-dien-1-yl)-diethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane (PubChem CID 173106303) has the molecular formula C28H50OSi2 and a molecular weight of 458.88 g/mol. Its IUPAC name is (5-tert-butyl-6-methoxy-1,2,3-trimethyl-4-methylsilylcyclohexa-2,4-dien-1-yl)-diethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane.

Molecular Properties

Compound Name(5-tert-butyl-6-methoxy-1,2,3-trimethyl-4-methylsilylcyclohexa-2,4-dien-1-yl)-diethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
PubChem CID173106303
Molecular FormulaC28H50OSi2
Molecular Weight458.88 g/mol
Exact Mass458.34
IUPAC Name(5-tert-butyl-6-methoxy-1,2,3-trimethyl-4-methylsilylcyclohexa-2,4-dien-1-yl)-diethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
SMILESCC[Si](CC)(C1=C(C)C(C)=C(C)C1C)C1(C)C(C)=C(C)C([SiH2]C)=C(C(C)(C)C)C1OC
InChIInChI=1S/C28H50OSi2/c1-15-31(16-2,25-19(5)17(3)18(4)20(25)6)28(12)22(8)21(7)24(30-14)23(26(28)29-13)27(9,10)11/h19,26H,15-16,30H2,1-14H3
InChIKeyYBARCOCQSDQLEB-UHFFFAOYSA-N
XLogP7.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.88
LogP ≤ 57.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (5-tert-butyl-6-methoxy-1,2,3-trimethyl-4-methylsilylcyclohexa-2,4-dien-1-yl)-diethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5-tert-butyl-6-methoxy-1,2,3-trimethyl-4-methylsilylcyclohexa-2,4-dien-1-yl)-diethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane?
The IUPAC name of (5-tert-butyl-6-methoxy-1,2,3-trimethyl-4-methylsilylcyclohexa-2,4-dien-1-yl)-diethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane (CID 173106303) is (5-tert-butyl-6-methoxy-1,2,3-trimethyl-4-methylsilylcyclohexa-2,4-dien-1-yl)-diethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane.
What is the SMILES notation for (5-tert-butyl-6-methoxy-1,2,3-trimethyl-4-methylsilylcyclohexa-2,4-dien-1-yl)-diethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane?
The canonical SMILES for (5-tert-butyl-6-methoxy-1,2,3-trimethyl-4-methylsilylcyclohexa-2,4-dien-1-yl)-diethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane is CC[Si](CC)(C1=C(C)C(C)=C(C)C1C)C1(C)C(C)=C(C)C([SiH2]C)=C(C(C)(C)C)C1OC.
What is the InChIKey of (5-tert-butyl-6-methoxy-1,2,3-trimethyl-4-methylsilylcyclohexa-2,4-dien-1-yl)-diethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane?
The InChIKey is YBARCOCQSDQLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H50OSi2/c1-15-31(16-2,25-19(5)17(3)18(4)20(25)6)28(12)22(8)21(7)24(30-14)23(26(28)29-13)27(9,10)11/h19,26H,15-16,30H2,1-14H3.
What are the key properties of (5-tert-butyl-6-methoxy-1,2,3-trimethyl-4-methylsilylcyclohexa-2,4-dien-1-yl)-diethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane?
(5-tert-butyl-6-methoxy-1,2,3-trimethyl-4-methylsilylcyclohexa-2,4-dien-1-yl)-diethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane has a molecular weight of 458.88 g/mol, XLogP of 7.96, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butyl-6-methoxy-1,2,3-trimethyl-4-methylsilylcyclohexa-2,4-dien-1-yl)-diethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane is sourced from PubChem (CID 173106303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).