(3-tert-butylcyclopenta-2,4-dien-1-yl)-tris(3-methylphenyl)silane

C30H34Si — CID 140852310

IUPAC(3-tert-butylcyclopenta-2,4-dien-1-yl)-tris(3-methylphenyl)silane
SMILESCc1cccc([Si](c2cccc(C)c2)(c2cccc(C)c2)C2C=CC(C(C)(C)C)=C2)c1
InChIInChI=1S/C30H34Si/c1-22-10-7-13-26(18-22)31(27-14-8-11-23(2)19-27,28-15-9-12-24(3)20-28)29-17-16-25(21-29)30(4,5)6/h7-21,29H,1-6H3
InChIKeyGHPVPGHVTGBJCJ-UHFFFAOYSA-N
MW422.69 g/mol
LogP5.99
Rot. Bonds4

About (3-tert-butylcyclopenta-2,4-dien-1-yl)-tris(3-methylphenyl)silane

(3-tert-butylcyclopenta-2,4-dien-1-yl)-tris(3-methylphenyl)silane (PubChem CID 140852310) has the molecular formula C30H34Si and a molecular weight of 422.69 g/mol. Its IUPAC name is (3-tert-butylcyclopenta-2,4-dien-1-yl)-tris(3-methylphenyl)silane.

Molecular Properties

Compound Name(3-tert-butylcyclopenta-2,4-dien-1-yl)-tris(3-methylphenyl)silane
PubChem CID140852310
Molecular FormulaC30H34Si
Molecular Weight422.69 g/mol
Exact Mass422.24
IUPAC Name(3-tert-butylcyclopenta-2,4-dien-1-yl)-tris(3-methylphenyl)silane
SMILESCc1cccc([Si](c2cccc(C)c2)(c2cccc(C)c2)C2C=CC(C(C)(C)C)=C2)c1
InChIInChI=1S/C30H34Si/c1-22-10-7-13-26(18-22)31(27-14-8-11-23(2)19-27,28-15-9-12-24(3)20-28)29-17-16-25(21-29)30(4,5)6/h7-21,29H,1-6H3
InChIKeyGHPVPGHVTGBJCJ-UHFFFAOYSA-N
XLogP5.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.69
LogP ≤ 55.99
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-butan-2-ylcyclopenta-2,4-dien-1-yl)-tris(3-methylphenyl)silane
CID 140852648
trimethyl-[3-[tris(3-methylphenyl)methyl]cyclopenta-2,4-dien-1-yl]silane
CID 161356088
(3-tert-butylcyclopenta-1,3-dien-1-yl)-tris(3-methylphenyl)silane
CID 140588612
bis(3-methylphenyl)-phenyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 152748439
ethyl-methyl-bis(3-methylphenyl)silane
CID 58460541
N-[chloro-bis(3-methylphenyl)silyl]-2-methylpropan-2-amine
CID 70011657
N-[(3-tert-butylcyclopenta-2,4-dien-1-yl)-dimethoxysilyl]-2-methylpropan-2-amine
CID 139699532
dichloro-ethyl-(3-methylphenyl)silane
CID 15514735
(3-methylphenyl)-tripropylsilane
CID 101204991
trimethyl-[3-(2-phenylpropan-2-yl)cyclopenta-2,4-dien-1-yl]silane
CID 141139818
3,6-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-carbazole
CID 155154681
chloro-(3,5-dimethylphenyl)-bis(3-methylphenyl)silane
CID 88962318

Frequently Asked Questions

What is the IUPAC name of (3-tert-butylcyclopenta-2,4-dien-1-yl)-tris(3-methylphenyl)silane?
The IUPAC name of (3-tert-butylcyclopenta-2,4-dien-1-yl)-tris(3-methylphenyl)silane (CID 140852310) is (3-tert-butylcyclopenta-2,4-dien-1-yl)-tris(3-methylphenyl)silane.
What is the SMILES notation for (3-tert-butylcyclopenta-2,4-dien-1-yl)-tris(3-methylphenyl)silane?
The canonical SMILES for (3-tert-butylcyclopenta-2,4-dien-1-yl)-tris(3-methylphenyl)silane is Cc1cccc([Si](c2cccc(C)c2)(c2cccc(C)c2)C2C=CC(C(C)(C)C)=C2)c1.
What is the InChIKey of (3-tert-butylcyclopenta-2,4-dien-1-yl)-tris(3-methylphenyl)silane?
The InChIKey is GHPVPGHVTGBJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34Si/c1-22-10-7-13-26(18-22)31(27-14-8-11-23(2)19-27,28-15-9-12-24(3)20-28)29-17-16-25(21-29)30(4,5)6/h7-21,29H,1-6H3.
What are the key properties of (3-tert-butylcyclopenta-2,4-dien-1-yl)-tris(3-methylphenyl)silane?
(3-tert-butylcyclopenta-2,4-dien-1-yl)-tris(3-methylphenyl)silane has a molecular weight of 422.69 g/mol, XLogP of 5.99, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butylcyclopenta-2,4-dien-1-yl)-tris(3-methylphenyl)silane is sourced from PubChem (CID 140852310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).