(3-methylcyclopenta-1,3-dien-1-yl)-tris(3-propan-2-ylphenyl)silane

C33H40Si — CID 140671836

IUPAC(3-methylcyclopenta-1,3-dien-1-yl)-tris(3-propan-2-ylphenyl)silane
SMILESCC1=CCC([Si](c2cccc(C(C)C)c2)(c2cccc(C(C)C)c2)c2cccc(C(C)C)c2)=C1
InChIInChI=1S/C33H40Si/c1-23(2)27-11-8-14-30(20-27)34(33-18-17-26(7)19-33,31-15-9-12-28(21-31)24(3)4)32-16-10-13-29(22-32)25(5)6/h8-17,19-25H,18H2,1-7H3
InChIKeyJFQREPGXRPEJGX-UHFFFAOYSA-N
MW464.77 g/mol
LogP7.34
Rot. Bonds7

About (3-methylcyclopenta-1,3-dien-1-yl)-tris(3-propan-2-ylphenyl)silane

(3-methylcyclopenta-1,3-dien-1-yl)-tris(3-propan-2-ylphenyl)silane (PubChem CID 140671836) has the molecular formula C33H40Si and a molecular weight of 464.77 g/mol. Its IUPAC name is (3-methylcyclopenta-1,3-dien-1-yl)-tris(3-propan-2-ylphenyl)silane.

Molecular Properties

Compound Name(3-methylcyclopenta-1,3-dien-1-yl)-tris(3-propan-2-ylphenyl)silane
PubChem CID140671836
Molecular FormulaC33H40Si
Molecular Weight464.77 g/mol
Exact Mass464.29
IUPAC Name(3-methylcyclopenta-1,3-dien-1-yl)-tris(3-propan-2-ylphenyl)silane
SMILESCC1=CCC([Si](c2cccc(C(C)C)c2)(c2cccc(C(C)C)c2)c2cccc(C(C)C)c2)=C1
InChIInChI=1S/C33H40Si/c1-23(2)27-11-8-14-30(20-27)34(33-18-17-26(7)19-33,31-15-9-12-28(21-31)24(3)4)32-16-10-13-29(22-32)25(5)6/h8-17,19-25H,18H2,1-7H3
InChIKeyJFQREPGXRPEJGX-UHFFFAOYSA-N
XLogP7.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.77
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(3-tert-butylcyclopenta-1,3-dien-1-yl)-tris(3-propan-2-ylphenyl)silane
CID 140588355
(3-benzylcyclopenta-1,3-dien-1-yl)-tris(3-propan-2-ylphenyl)silane
CID 140589112
(5-propan-2-ylcyclopenta-1,4-dien-1-yl)-tris(3-propan-2-ylphenyl)silane;titanium(4+);trichloride
CID 173473555
(3-ethylcyclopenta-1,3-dien-1-yl)-tris(3-propan-2-ylphenyl)silane;titanium(4+);trichloride
CID 173384506
tris(3-propan-2-ylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
CID 140671833
(3-tert-butylcyclopenta-1,3-dien-1-yl)-tris(3-methylphenyl)silane
CID 140588612
titanium(4+);tris(3-propan-2-ylphenyl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane;trichloride
CID 173463807
(5-benzylcyclopenta-1,4-dien-1-yl)-tris(3-propan-2-ylphenyl)silane;titanium;trihydrochloride
CID 173475028
ethane;1-methyl-3-propan-2-ylbenzene
CID 142020139
1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;ethane
CID 158231247
cyclopenta-2,4-dien-1-yl-tris(3-propan-2-ylphenyl)silane;methanamine
CID 174773770
benzene;ethane;1-methyl-3-propan-2-ylbenzene
CID 143383161

Frequently Asked Questions

What is the IUPAC name of (3-methylcyclopenta-1,3-dien-1-yl)-tris(3-propan-2-ylphenyl)silane?
The IUPAC name of (3-methylcyclopenta-1,3-dien-1-yl)-tris(3-propan-2-ylphenyl)silane (CID 140671836) is (3-methylcyclopenta-1,3-dien-1-yl)-tris(3-propan-2-ylphenyl)silane.
What is the SMILES notation for (3-methylcyclopenta-1,3-dien-1-yl)-tris(3-propan-2-ylphenyl)silane?
The canonical SMILES for (3-methylcyclopenta-1,3-dien-1-yl)-tris(3-propan-2-ylphenyl)silane is CC1=CCC([Si](c2cccc(C(C)C)c2)(c2cccc(C(C)C)c2)c2cccc(C(C)C)c2)=C1.
What is the InChIKey of (3-methylcyclopenta-1,3-dien-1-yl)-tris(3-propan-2-ylphenyl)silane?
The InChIKey is JFQREPGXRPEJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H40Si/c1-23(2)27-11-8-14-30(20-27)34(33-18-17-26(7)19-33,31-15-9-12-28(21-31)24(3)4)32-16-10-13-29(22-32)25(5)6/h8-17,19-25H,18H2,1-7H3.
What are the key properties of (3-methylcyclopenta-1,3-dien-1-yl)-tris(3-propan-2-ylphenyl)silane?
(3-methylcyclopenta-1,3-dien-1-yl)-tris(3-propan-2-ylphenyl)silane has a molecular weight of 464.77 g/mol, XLogP of 7.34, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylcyclopenta-1,3-dien-1-yl)-tris(3-propan-2-ylphenyl)silane is sourced from PubChem (CID 140671836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).