pent-4-enoxy-diphenyl-undecoxysilane

C28H42O2Si — CID 91732722

IUPACpent-4-enoxy-diphenyl-undecoxysilane
SMILESC=CCCCO[Si](OCCCCCCCCCCC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H42O2Si/c1-3-5-7-8-9-10-11-12-20-26-30-31(29-25-19-6-4-2,27-21-15-13-16-22-27)28-23-17-14-18-24-28/h4,13-18,21-24H,2-3,5-12,19-20,25-26H2,1H3
InChIKeyHMZSSTPHEMFVFM-UHFFFAOYSA-N
MW438.73 g/mol
LogP6.77
Rot. Bonds18

About pent-4-enoxy-diphenyl-undecoxysilane

pent-4-enoxy-diphenyl-undecoxysilane (PubChem CID 91732722) has the molecular formula C28H42O2Si and a molecular weight of 438.73 g/mol. Its IUPAC name is pent-4-enoxy-diphenyl-undecoxysilane.

Molecular Properties

Compound Namepent-4-enoxy-diphenyl-undecoxysilane
PubChem CID91732722
Molecular FormulaC28H42O2Si
Molecular Weight438.73 g/mol
Exact Mass438.30
IUPAC Namepent-4-enoxy-diphenyl-undecoxysilane
SMILESC=CCCCO[Si](OCCCCCCCCCCC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H42O2Si/c1-3-5-7-8-9-10-11-12-20-26-30-31(29-25-19-6-4-2,27-21-15-13-16-22-27)28-23-17-14-18-24-28/h4,13-18,21-24H,2-3,5-12,19-20,25-26H2,1H3
InChIKeyHMZSSTPHEMFVFM-UHFFFAOYSA-N
XLogP6.77
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.73
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Diphenyldimethoxysilane
CID 81284
Diphenyldiethoxysilane
CID 75705
Ethoxymethyldiphenylsilane
CID 74576
Diphenylvinylethoxysilane
CID 87366
Tert-butyl-diphenyl-[2-(5-prop-2-enyldioxolan-3-yl)ethoxy]silane
CID 164625594
Tert-butyl-cyclohexyloxy-diphenylsilane
CID 12619131
Tert-butyl-cyclopentyloxy-diphenylsilane
CID 85767200
Tributoxy(phenyl)silane
CID 619663
Diphenyl-dipropoxy-silane
CID 14324871
Tert-butyl-cycloheptyloxy-diphenylsilane
CID 90682026
6-((tert-Butyldiphenylsilyl)oxy)hexan-1-ol
CID 11013734
tert-Butyl(hexyloxy)diphenylsilane
CID 11338517

Frequently Asked Questions

What is the IUPAC name of pent-4-enoxy-diphenyl-undecoxysilane?
The IUPAC name of pent-4-enoxy-diphenyl-undecoxysilane (CID 91732722) is pent-4-enoxy-diphenyl-undecoxysilane.
What is the SMILES notation for pent-4-enoxy-diphenyl-undecoxysilane?
The canonical SMILES for pent-4-enoxy-diphenyl-undecoxysilane is C=CCCCO[Si](OCCCCCCCCCCC)(c1ccccc1)c1ccccc1.
What is the InChIKey of pent-4-enoxy-diphenyl-undecoxysilane?
The InChIKey is HMZSSTPHEMFVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42O2Si/c1-3-5-7-8-9-10-11-12-20-26-30-31(29-25-19-6-4-2,27-21-15-13-16-22-27)28-23-17-14-18-24-28/h4,13-18,21-24H,2-3,5-12,19-20,25-26H2,1H3.
What are the key properties of pent-4-enoxy-diphenyl-undecoxysilane?
pent-4-enoxy-diphenyl-undecoxysilane has a molecular weight of 438.73 g/mol, XLogP of 6.77, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pent-4-enoxy-diphenyl-undecoxysilane is sourced from PubChem (CID 91732722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).