(2-tert-butylcyclopenta-1,3-dien-1-yl)-triphenylsilane

C27H28Si — CID 123467419

IUPAC(2-tert-butylcyclopenta-1,3-dien-1-yl)-triphenylsilane
SMILESCC(C)(C)C1=C([Si](c2ccccc2)(c2ccccc2)c2ccccc2)CC=C1
InChIInChI=1S/C27H28Si/c1-27(2,3)25-20-13-21-26(25)28(22-14-7-4-8-15-22,23-16-9-5-10-17-23)24-18-11-6-12-19-24/h4-20H,21H2,1-3H3
InChIKeyMVZASIHYAXVIIX-UHFFFAOYSA-N
MW380.61 g/mol
LogP5.00
Rot. Bonds4

About (2-tert-butylcyclopenta-1,3-dien-1-yl)-triphenylsilane

(2-tert-butylcyclopenta-1,3-dien-1-yl)-triphenylsilane (PubChem CID 123467419) has the molecular formula C27H28Si and a molecular weight of 380.61 g/mol. Its IUPAC name is (2-tert-butylcyclopenta-1,3-dien-1-yl)-triphenylsilane.

Molecular Properties

Compound Name(2-tert-butylcyclopenta-1,3-dien-1-yl)-triphenylsilane
PubChem CID123467419
Molecular FormulaC27H28Si
Molecular Weight380.61 g/mol
Exact Mass380.20
IUPAC Name(2-tert-butylcyclopenta-1,3-dien-1-yl)-triphenylsilane
SMILESCC(C)(C)C1=C([Si](c2ccccc2)(c2ccccc2)c2ccccc2)CC=C1
InChIInChI=1S/C27H28Si/c1-27(2,3)25-20-13-21-26(25)28(22-14-7-4-8-15-22,23-16-9-5-10-17-23)24-18-11-6-12-19-24/h4-20H,21H2,1-3H3
InChIKeyMVZASIHYAXVIIX-UHFFFAOYSA-N
XLogP5.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.61
LogP ≤ 55.00
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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Frequently Asked Questions

What is the IUPAC name of (2-tert-butylcyclopenta-1,3-dien-1-yl)-triphenylsilane?
The IUPAC name of (2-tert-butylcyclopenta-1,3-dien-1-yl)-triphenylsilane (CID 123467419) is (2-tert-butylcyclopenta-1,3-dien-1-yl)-triphenylsilane.
What is the SMILES notation for (2-tert-butylcyclopenta-1,3-dien-1-yl)-triphenylsilane?
The canonical SMILES for (2-tert-butylcyclopenta-1,3-dien-1-yl)-triphenylsilane is CC(C)(C)C1=C([Si](c2ccccc2)(c2ccccc2)c2ccccc2)CC=C1.
What is the InChIKey of (2-tert-butylcyclopenta-1,3-dien-1-yl)-triphenylsilane?
The InChIKey is MVZASIHYAXVIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28Si/c1-27(2,3)25-20-13-21-26(25)28(22-14-7-4-8-15-22,23-16-9-5-10-17-23)24-18-11-6-12-19-24/h4-20H,21H2,1-3H3.
What are the key properties of (2-tert-butylcyclopenta-1,3-dien-1-yl)-triphenylsilane?
(2-tert-butylcyclopenta-1,3-dien-1-yl)-triphenylsilane has a molecular weight of 380.61 g/mol, XLogP of 5.00, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butylcyclopenta-1,3-dien-1-yl)-triphenylsilane is sourced from PubChem (CID 123467419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).