tris(2-methoxyphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane

C30H34O3Si — CID 88962862

IUPACtris(2-methoxyphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
SMILESCOc1ccccc1[Si](C1=C(C)C(C)=C(C)C1C)(c1ccccc1OC)c1ccccc1OC
InChIInChI=1S/C30H34O3Si/c1-20-21(2)23(4)30(22(20)3)34(27-17-11-8-14-24(27)31-5,28-18-12-9-15-25(28)32-6)29-19-13-10-16-26(29)33-7/h8-19,22H,1-7H3
InChIKeyTVLXHAYQNZYRCZ-UHFFFAOYSA-N
MW470.69 g/mol
LogP5.02
Rot. Bonds7

About tris(2-methoxyphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane

tris(2-methoxyphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane (PubChem CID 88962862) has the molecular formula C30H34O3Si and a molecular weight of 470.69 g/mol. Its IUPAC name is tris(2-methoxyphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane.

Molecular Properties

Compound Nametris(2-methoxyphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
PubChem CID88962862
Molecular FormulaC30H34O3Si
Molecular Weight470.69 g/mol
Exact Mass470.23
IUPAC Nametris(2-methoxyphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
SMILESCOc1ccccc1[Si](C1=C(C)C(C)=C(C)C1C)(c1ccccc1OC)c1ccccc1OC
InChIInChI=1S/C30H34O3Si/c1-20-21(2)23(4)30(22(20)3)34(27-17-11-8-14-24(27)31-5,28-18-12-9-15-25(28)32-6)29-19-13-10-16-26(29)33-7/h8-19,22H,1-7H3
InChIKeyTVLXHAYQNZYRCZ-UHFFFAOYSA-N
XLogP5.02
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.69
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-methoxyphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane?
The IUPAC name of tris(2-methoxyphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane (CID 88962862) is tris(2-methoxyphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane.
What is the SMILES notation for tris(2-methoxyphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane?
The canonical SMILES for tris(2-methoxyphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane is COc1ccccc1[Si](C1=C(C)C(C)=C(C)C1C)(c1ccccc1OC)c1ccccc1OC.
What is the InChIKey of tris(2-methoxyphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane?
The InChIKey is TVLXHAYQNZYRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34O3Si/c1-20-21(2)23(4)30(22(20)3)34(27-17-11-8-14-24(27)31-5,28-18-12-9-15-25(28)32-6)29-19-13-10-16-26(29)33-7/h8-19,22H,1-7H3.
What are the key properties of tris(2-methoxyphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane?
tris(2-methoxyphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane has a molecular weight of 470.69 g/mol, XLogP of 5.02, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-methoxyphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane is sourced from PubChem (CID 88962862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).