butyl-(2,5-dimethylcyclopenta-1,4-dien-1-yl)-methyl-phenylsilane

C18H26Si — CID 173383331

IUPACbutyl-(2,5-dimethylcyclopenta-1,4-dien-1-yl)-methyl-phenylsilane
SMILESCCCC[Si](C)(C1=C(C)CC=C1C)c1ccccc1
InChIInChI=1S/C18H26Si/c1-5-6-14-19(4,17-10-8-7-9-11-17)18-15(2)12-13-16(18)3/h7-12H,5-6,13-14H2,1-4H3
InChIKeyHYHUGVQMSTXLPA-UHFFFAOYSA-N
MW270.49 g/mol
LogP4.98
Rot. Bonds5

About butyl-(2,5-dimethylcyclopenta-1,4-dien-1-yl)-methyl-phenylsilane

butyl-(2,5-dimethylcyclopenta-1,4-dien-1-yl)-methyl-phenylsilane (PubChem CID 173383331) has the molecular formula C18H26Si and a molecular weight of 270.49 g/mol. Its IUPAC name is butyl-(2,5-dimethylcyclopenta-1,4-dien-1-yl)-methyl-phenylsilane.

Molecular Properties

Compound Namebutyl-(2,5-dimethylcyclopenta-1,4-dien-1-yl)-methyl-phenylsilane
PubChem CID173383331
Molecular FormulaC18H26Si
Molecular Weight270.49 g/mol
Exact Mass270.18
IUPAC Namebutyl-(2,5-dimethylcyclopenta-1,4-dien-1-yl)-methyl-phenylsilane
SMILESCCCC[Si](C)(C1=C(C)CC=C1C)c1ccccc1
InChIInChI=1S/C18H26Si/c1-5-6-14-19(4,17-10-8-7-9-11-17)18-15(2)12-13-16(18)3/h7-12H,5-6,13-14H2,1-4H3
InChIKeyHYHUGVQMSTXLPA-UHFFFAOYSA-N
XLogP4.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 54.98
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

butyl-methyl-(5-methylcyclopenta-1,4-dien-1-yl)-phenylsilane
CID 173384313
decyl-methyl-diphenylsilane
CID 15259590
butyl(trichloro)silane;dichloro(diphenyl)silane
CID 67532832
butyl-dihydroxy-phenylsilane
CID 23312649
chloro-methyl-octyl-phenylsilane
CID 66989770
dihexyl-methyl-phenylsilane
CID 71342172
icosyl-dimethyl-phenylsilane
CID 91054385
butyl-dimethoxy-phenylsilane
CID 66773516
butyl-[dimethyl(phenyl)silyl]oxy-dimethylsilane
CID 167313973
(5-benzylcyclopenta-1,4-dien-1-yl)-butyl-methyl-(2,4,6-trimethylphenyl)silane;titanium(4+);trichloride
CID 173384627
butyl-[2-[[dimethyl(phenyl)silyl]methyl]phenyl]-methyl-naphthalen-1-ylsilane
CID 12030739
butyl-methoxy-[methyl(diphenyl)silyl]-phenylsilane
CID 90686428

Frequently Asked Questions

What is the IUPAC name of butyl-(2,5-dimethylcyclopenta-1,4-dien-1-yl)-methyl-phenylsilane?
The IUPAC name of butyl-(2,5-dimethylcyclopenta-1,4-dien-1-yl)-methyl-phenylsilane (CID 173383331) is butyl-(2,5-dimethylcyclopenta-1,4-dien-1-yl)-methyl-phenylsilane.
What is the SMILES notation for butyl-(2,5-dimethylcyclopenta-1,4-dien-1-yl)-methyl-phenylsilane?
The canonical SMILES for butyl-(2,5-dimethylcyclopenta-1,4-dien-1-yl)-methyl-phenylsilane is CCCC[Si](C)(C1=C(C)CC=C1C)c1ccccc1.
What is the InChIKey of butyl-(2,5-dimethylcyclopenta-1,4-dien-1-yl)-methyl-phenylsilane?
The InChIKey is HYHUGVQMSTXLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26Si/c1-5-6-14-19(4,17-10-8-7-9-11-17)18-15(2)12-13-16(18)3/h7-12H,5-6,13-14H2,1-4H3.
What are the key properties of butyl-(2,5-dimethylcyclopenta-1,4-dien-1-yl)-methyl-phenylsilane?
butyl-(2,5-dimethylcyclopenta-1,4-dien-1-yl)-methyl-phenylsilane has a molecular weight of 270.49 g/mol, XLogP of 4.98, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-(2,5-dimethylcyclopenta-1,4-dien-1-yl)-methyl-phenylsilane is sourced from PubChem (CID 173383331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).