tris(2,6-dimethoxy-4-methylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane

C36H46O6Si — CID 88963068

IUPACtris(2,6-dimethoxy-4-methylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
SMILESCOc1cc(C)cc(OC)c1[Si](C1=C(C)C(C)=C(C)C1C)(c1c(OC)cc(C)cc1OC)c1c(OC)cc(C)cc1OC
InChIInChI=1S/C36H46O6Si/c1-20-14-27(37-8)34(28(15-20)38-9)43(33-25(6)23(4)24(5)26(33)7,35-29(39-10)16-21(2)17-30(35)40-11)36-31(41-12)18-22(3)19-32(36)42-13/h14-19,25H,1-13H3
InChIKeyVPGFVDUPECVVCO-UHFFFAOYSA-N
MW602.84 g/mol
LogP5.98
Rot. Bonds10

About tris(2,6-dimethoxy-4-methylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane

tris(2,6-dimethoxy-4-methylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane (PubChem CID 88963068) has the molecular formula C36H46O6Si and a molecular weight of 602.84 g/mol. Its IUPAC name is tris(2,6-dimethoxy-4-methylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane.

Molecular Properties

Compound Nametris(2,6-dimethoxy-4-methylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
PubChem CID88963068
Molecular FormulaC36H46O6Si
Molecular Weight602.84 g/mol
Exact Mass602.31
IUPAC Nametris(2,6-dimethoxy-4-methylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
SMILESCOc1cc(C)cc(OC)c1[Si](C1=C(C)C(C)=C(C)C1C)(c1c(OC)cc(C)cc1OC)c1c(OC)cc(C)cc1OC
InChIInChI=1S/C36H46O6Si/c1-20-14-27(37-8)34(28(15-20)38-9)43(33-25(6)23(4)24(5)26(33)7,35-29(39-10)16-21(2)17-30(35)40-11)36-31(41-12)18-22(3)19-32(36)42-13/h14-19,25H,1-13H3
InChIKeyVPGFVDUPECVVCO-UHFFFAOYSA-N
XLogP5.98
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.84
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tris(2,6-dimethoxy-4-methylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane?
The IUPAC name of tris(2,6-dimethoxy-4-methylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane (CID 88963068) is tris(2,6-dimethoxy-4-methylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane.
What is the SMILES notation for tris(2,6-dimethoxy-4-methylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane?
The canonical SMILES for tris(2,6-dimethoxy-4-methylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane is COc1cc(C)cc(OC)c1[Si](C1=C(C)C(C)=C(C)C1C)(c1c(OC)cc(C)cc1OC)c1c(OC)cc(C)cc1OC.
What is the InChIKey of tris(2,6-dimethoxy-4-methylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane?
The InChIKey is VPGFVDUPECVVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H46O6Si/c1-20-14-27(37-8)34(28(15-20)38-9)43(33-25(6)23(4)24(5)26(33)7,35-29(39-10)16-21(2)17-30(35)40-11)36-31(41-12)18-22(3)19-32(36)42-13/h14-19,25H,1-13H3.
What are the key properties of tris(2,6-dimethoxy-4-methylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane?
tris(2,6-dimethoxy-4-methylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane has a molecular weight of 602.84 g/mol, XLogP of 5.98, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2,6-dimethoxy-4-methylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane is sourced from PubChem (CID 88963068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).