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

C17H24Si — CID 173384313

IUPACbutyl-methyl-(5-methylcyclopenta-1,4-dien-1-yl)-phenylsilane
SMILESCCCC[Si](C)(C1=CCC=C1C)c1ccccc1
InChIInChI=1S/C17H24Si/c1-4-5-14-18(3,16-11-7-6-8-12-16)17-13-9-10-15(17)2/h6-8,10-13H,4-5,9,14H2,1-3H3
InChIKeySQHPTCRAKPSXGV-UHFFFAOYSA-N
MW256.46 g/mol
LogP4.59
Rot. Bonds5

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

butyl-methyl-(5-methylcyclopenta-1,4-dien-1-yl)-phenylsilane (PubChem CID 173384313) has the molecular formula C17H24Si and a molecular weight of 256.46 g/mol. Its IUPAC name is butyl-methyl-(5-methylcyclopenta-1,4-dien-1-yl)-phenylsilane.

Molecular Properties

Compound Namebutyl-methyl-(5-methylcyclopenta-1,4-dien-1-yl)-phenylsilane
PubChem CID173384313
Molecular FormulaC17H24Si
Molecular Weight256.46 g/mol
Exact Mass256.16
IUPAC Namebutyl-methyl-(5-methylcyclopenta-1,4-dien-1-yl)-phenylsilane
SMILESCCCC[Si](C)(C1=CCC=C1C)c1ccccc1
InChIInChI=1S/C17H24Si/c1-4-5-14-18(3,16-11-7-6-8-12-16)17-13-9-10-15(17)2/h6-8,10-13H,4-5,9,14H2,1-3H3
InChIKeySQHPTCRAKPSXGV-UHFFFAOYSA-N
XLogP4.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 54.59
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 butyl-methyl-(5-methylcyclopenta-1,4-dien-1-yl)-phenylsilane?
The IUPAC name of butyl-methyl-(5-methylcyclopenta-1,4-dien-1-yl)-phenylsilane (CID 173384313) is butyl-methyl-(5-methylcyclopenta-1,4-dien-1-yl)-phenylsilane.
What is the SMILES notation for butyl-methyl-(5-methylcyclopenta-1,4-dien-1-yl)-phenylsilane?
The canonical SMILES for butyl-methyl-(5-methylcyclopenta-1,4-dien-1-yl)-phenylsilane is CCCC[Si](C)(C1=CCC=C1C)c1ccccc1.
What is the InChIKey of butyl-methyl-(5-methylcyclopenta-1,4-dien-1-yl)-phenylsilane?
The InChIKey is SQHPTCRAKPSXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24Si/c1-4-5-14-18(3,16-11-7-6-8-12-16)17-13-9-10-15(17)2/h6-8,10-13H,4-5,9,14H2,1-3H3.
What are the key properties of butyl-methyl-(5-methylcyclopenta-1,4-dien-1-yl)-phenylsilane?
butyl-methyl-(5-methylcyclopenta-1,4-dien-1-yl)-phenylsilane has a molecular weight of 256.46 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-methyl-(5-methylcyclopenta-1,4-dien-1-yl)-phenylsilane is sourced from PubChem (CID 173384313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).