tert-butyl-dimethyl-(5-phenylmethoxypent-1-en-3-yloxy)silane

C18H30O2Si — CID 174283029

IUPACtert-butyl-dimethyl-(5-phenylmethoxypent-1-en-3-yloxy)silane
SMILESC=CC(CCOCc1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H30O2Si/c1-7-17(20-21(5,6)18(2,3)4)13-14-19-15-16-11-9-8-10-12-16/h7-12,17H,1,13-15H2,2-6H3
InChIKeyJHSSJONBPAHLQD-UHFFFAOYSA-N
MW306.52 g/mol
LogP5.17
Rot. Bonds8

About tert-butyl-dimethyl-(5-phenylmethoxypent-1-en-3-yloxy)silane

tert-butyl-dimethyl-(5-phenylmethoxypent-1-en-3-yloxy)silane (PubChem CID 174283029) has the molecular formula C18H30O2Si and a molecular weight of 306.52 g/mol. Its IUPAC name is tert-butyl-dimethyl-(5-phenylmethoxypent-1-en-3-yloxy)silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-(5-phenylmethoxypent-1-en-3-yloxy)silane
PubChem CID174283029
Molecular FormulaC18H30O2Si
Molecular Weight306.52 g/mol
Exact Mass306.20
IUPAC Nametert-butyl-dimethyl-(5-phenylmethoxypent-1-en-3-yloxy)silane
SMILESC=CC(CCOCc1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H30O2Si/c1-7-17(20-21(5,6)18(2,3)4)13-14-19-15-16-11-9-8-10-12-16/h7-12,17H,1,13-15H2,2-6H3
InChIKeyJHSSJONBPAHLQD-UHFFFAOYSA-N
XLogP5.17
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.52
LogP ≤ 55.17
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

tert-butyl-diphenyl-[(3R)-6-phenylmethoxyhex-1-en-3-yl]oxysilane
CID 134833176
tert-butyl-diphenyl-[(3R)-7-phenylmethoxyhept-1-en-3-yl]oxysilane
CID 57341570
(3S,4R,5S)-1-[tert-butyl(dimethyl)silyl]oxy-4-ethenyl-7-phenylmethoxyheptane-3,5-diol
CID 134970527
tert-butyl-[(3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxyhept-6-enoxy]-dimethylsilane
CID 11113361
1,17-bis(phenylmethoxy)heptadecan-9-yloxy-tert-butyl-dimethylsilane
CID 66710987
(3R,5R,7S,10R,11S,12R)-3,11-bis[[tert-butyl(dimethyl)silyl]oxy]-10,12-dimethyl-13-phenylmethoxytridec-1-ene-5,7-diol
CID 11763383
tert-butyl-dimethyl-[(2S,3S)-3-phenylmethoxypent-4-en-2-yl]oxysilane
CID 73333550
tert-butyl-dimethyl-[(3S,4S)-4-phenylmethoxypent-1-en-3-yl]oxysilane
CID 138976638
tert-butyl-dimethyl-[(2S,3R)-3-phenylmethoxypent-4-en-2-yl]oxysilane
CID 73333549
tert-butyl-[(3S)-5-[2-(methoxymethyl)phenyl]pent-1-en-3-yl]oxy-dimethylsilane
CID 102363080
tert-butyl-dimethyl-[(2S,3S)-2-methyl-1-phenylmethoxyhex-5-en-3-yl]oxysilane
CID 10969702
(4R,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-8-phenylmethoxyoctanal
CID 11081542

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-(5-phenylmethoxypent-1-en-3-yloxy)silane?
The IUPAC name of tert-butyl-dimethyl-(5-phenylmethoxypent-1-en-3-yloxy)silane (CID 174283029) is tert-butyl-dimethyl-(5-phenylmethoxypent-1-en-3-yloxy)silane.
What is the SMILES notation for tert-butyl-dimethyl-(5-phenylmethoxypent-1-en-3-yloxy)silane?
The canonical SMILES for tert-butyl-dimethyl-(5-phenylmethoxypent-1-en-3-yloxy)silane is C=CC(CCOCc1ccccc1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-(5-phenylmethoxypent-1-en-3-yloxy)silane?
The InChIKey is JHSSJONBPAHLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O2Si/c1-7-17(20-21(5,6)18(2,3)4)13-14-19-15-16-11-9-8-10-12-16/h7-12,17H,1,13-15H2,2-6H3.
What are the key properties of tert-butyl-dimethyl-(5-phenylmethoxypent-1-en-3-yloxy)silane?
tert-butyl-dimethyl-(5-phenylmethoxypent-1-en-3-yloxy)silane has a molecular weight of 306.52 g/mol, XLogP of 5.17, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-(5-phenylmethoxypent-1-en-3-yloxy)silane is sourced from PubChem (CID 174283029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).