(2-tert-butylcyclopenta-2,4-dien-1-yl)-ethyl-methyl-phenylsilane

C18H26Si — CID 174773497

IUPAC(2-tert-butylcyclopenta-2,4-dien-1-yl)-ethyl-methyl-phenylsilane
SMILESCC[Si](C)(c1ccccc1)C1C=CC=C1C(C)(C)C
InChIInChI=1S/C18H26Si/c1-6-19(5,15-11-8-7-9-12-15)17-14-10-13-16(17)18(2,3)4/h7-14,17H,6H2,1-5H3
InChIKeyYAYNJTNKHCTWMX-UHFFFAOYSA-N
MW270.49 g/mol
LogP4.90
Rot. Bonds3

About (2-tert-butylcyclopenta-2,4-dien-1-yl)-ethyl-methyl-phenylsilane

(2-tert-butylcyclopenta-2,4-dien-1-yl)-ethyl-methyl-phenylsilane (PubChem CID 174773497) has the molecular formula C18H26Si and a molecular weight of 270.49 g/mol. Its IUPAC name is (2-tert-butylcyclopenta-2,4-dien-1-yl)-ethyl-methyl-phenylsilane.

Molecular Properties

Compound Name(2-tert-butylcyclopenta-2,4-dien-1-yl)-ethyl-methyl-phenylsilane
PubChem CID174773497
Molecular FormulaC18H26Si
Molecular Weight270.49 g/mol
Exact Mass270.18
IUPAC Name(2-tert-butylcyclopenta-2,4-dien-1-yl)-ethyl-methyl-phenylsilane
SMILESCC[Si](C)(c1ccccc1)C1C=CC=C1C(C)(C)C
InChIInChI=1S/C18H26Si/c1-6-19(5,15-11-8-7-9-12-15)17-14-10-13-16(17)18(2,3)4/h7-14,17H,6H2,1-5H3
InChIKeyYAYNJTNKHCTWMX-UHFFFAOYSA-N
XLogP4.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-tert-butylcyclopenta-2,4-dien-1-yl)-ethyl-methyl-phenylsilane?
The IUPAC name of (2-tert-butylcyclopenta-2,4-dien-1-yl)-ethyl-methyl-phenylsilane (CID 174773497) is (2-tert-butylcyclopenta-2,4-dien-1-yl)-ethyl-methyl-phenylsilane.
What is the SMILES notation for (2-tert-butylcyclopenta-2,4-dien-1-yl)-ethyl-methyl-phenylsilane?
The canonical SMILES for (2-tert-butylcyclopenta-2,4-dien-1-yl)-ethyl-methyl-phenylsilane is CC[Si](C)(c1ccccc1)C1C=CC=C1C(C)(C)C.
What is the InChIKey of (2-tert-butylcyclopenta-2,4-dien-1-yl)-ethyl-methyl-phenylsilane?
The InChIKey is YAYNJTNKHCTWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26Si/c1-6-19(5,15-11-8-7-9-12-15)17-14-10-13-16(17)18(2,3)4/h7-14,17H,6H2,1-5H3.
What are the key properties of (2-tert-butylcyclopenta-2,4-dien-1-yl)-ethyl-methyl-phenylsilane?
(2-tert-butylcyclopenta-2,4-dien-1-yl)-ethyl-methyl-phenylsilane has a molecular weight of 270.49 g/mol, XLogP of 4.90, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butylcyclopenta-2,4-dien-1-yl)-ethyl-methyl-phenylsilane is sourced from PubChem (CID 174773497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).