(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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Related Compounds

cyclopenta-2,4-dien-1-yl-ethyl-methyl-phenylsilane
CID 174662773
(2-ethylcyclopenta-2,4-dien-1-yl)-dimethyl-phenylsilane
CID 173383828
(3-butylcyclopenta-2,4-dien-1-yl)-ethyl-methyl-phenylsilane
CID 174668494
bis(3-bromo-5-tert-butylphenyl)-methyl-phenylsilane
CID 162470552
ethyl(triphenyl)silane
CID 5219688
ethyl-bis[(2-methylpropan-2-yl)oxy]-phenylsilane
CID 66774383
tetramethylsilane;trimethyl(phenyl)silane
CID 161005748
magnesium;diethyl-oxido-phenylsilane;bromide
CID 153323616
butyl-(1H-inden-1-yl)-methyl-phenylsilane
CID 88850734
2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-1-id-9-yl-ethyl-methyl-phenylsilane;titanium(4+);trichloride
CID 173383525
cyclopenta-2,4-dien-1-yl-methyl-diphenylsilane;titanium
CID 174994654
ethane;methane;propane;trimethyl(phenyl)silane
CID 158039342

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).