tert-butyl-dimethyl-(4-phenylpent-4-enoxy)silane

C17H28OSi — CID 46872776

IUPACtert-butyl-dimethyl-(4-phenylpent-4-enoxy)silane
SMILESC=C(CCCO[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C17H28OSi/c1-15(16-12-8-7-9-13-16)11-10-14-18-19(5,6)17(2,3)4/h7-9,12-13H,1,10-11,14H2,2-6H3
InChIKeyRKMIVLLMMCRAHY-UHFFFAOYSA-N
MW276.50 g/mol
LogP5.50
Rot. Bonds6

About tert-butyl-dimethyl-(4-phenylpent-4-enoxy)silane

tert-butyl-dimethyl-(4-phenylpent-4-enoxy)silane (PubChem CID 46872776) has the molecular formula C17H28OSi and a molecular weight of 276.50 g/mol. Its IUPAC name is tert-butyl-dimethyl-(4-phenylpent-4-enoxy)silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-(4-phenylpent-4-enoxy)silane
PubChem CID46872776
Molecular FormulaC17H28OSi
Molecular Weight276.50 g/mol
Exact Mass276.19
IUPAC Nametert-butyl-dimethyl-(4-phenylpent-4-enoxy)silane
SMILESC=C(CCCO[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C17H28OSi/c1-15(16-12-8-7-9-13-16)11-10-14-18-19(5,6)17(2,3)4/h7-9,12-13H,1,10-11,14H2,2-6H3
InChIKeyRKMIVLLMMCRAHY-UHFFFAOYSA-N
XLogP5.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.50
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-(4-phenylpent-4-enoxy)silane?
The IUPAC name of tert-butyl-dimethyl-(4-phenylpent-4-enoxy)silane (CID 46872776) is tert-butyl-dimethyl-(4-phenylpent-4-enoxy)silane.
What is the SMILES notation for tert-butyl-dimethyl-(4-phenylpent-4-enoxy)silane?
The canonical SMILES for tert-butyl-dimethyl-(4-phenylpent-4-enoxy)silane is C=C(CCCO[Si](C)(C)C(C)(C)C)c1ccccc1.
What is the InChIKey of tert-butyl-dimethyl-(4-phenylpent-4-enoxy)silane?
The InChIKey is RKMIVLLMMCRAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28OSi/c1-15(16-12-8-7-9-13-16)11-10-14-18-19(5,6)17(2,3)4/h7-9,12-13H,1,10-11,14H2,2-6H3.
What are the key properties of tert-butyl-dimethyl-(4-phenylpent-4-enoxy)silane?
tert-butyl-dimethyl-(4-phenylpent-4-enoxy)silane has a molecular weight of 276.50 g/mol, XLogP of 5.50, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-(4-phenylpent-4-enoxy)silane is sourced from PubChem (CID 46872776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).