tert-butyl-dimethyl-(6-phenylmethoxytridec-1-en-4-ylperoxy)silane

C26H46O3Si — CID 102465931

IUPACtert-butyl-dimethyl-(6-phenylmethoxytridec-1-en-4-ylperoxy)silane
SMILESC=CCC(CC(CCCCCCC)OCc1ccccc1)OO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H46O3Si/c1-8-10-11-12-16-20-24(27-22-23-18-14-13-15-19-23)21-25(17-9-2)28-29-30(6,7)26(3,4)5/h9,13-15,18-19,24-25H,2,8,10-12,16-17,20-22H2,1,3-7H3
InChIKeyHWTLKJQZKZUBST-UHFFFAOYSA-N
MW434.74 g/mol
LogP8.22
Rot. Bonds16

About tert-butyl-dimethyl-(6-phenylmethoxytridec-1-en-4-ylperoxy)silane

tert-butyl-dimethyl-(6-phenylmethoxytridec-1-en-4-ylperoxy)silane (PubChem CID 102465931) has the molecular formula C26H46O3Si and a molecular weight of 434.74 g/mol. Its IUPAC name is tert-butyl-dimethyl-(6-phenylmethoxytridec-1-en-4-ylperoxy)silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-(6-phenylmethoxytridec-1-en-4-ylperoxy)silane
PubChem CID102465931
Molecular FormulaC26H46O3Si
Molecular Weight434.74 g/mol
Exact Mass434.32
IUPAC Nametert-butyl-dimethyl-(6-phenylmethoxytridec-1-en-4-ylperoxy)silane
SMILESC=CCC(CC(CCCCCCC)OCc1ccccc1)OO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H46O3Si/c1-8-10-11-12-16-20-24(27-22-23-18-14-13-15-19-23)21-25(17-9-2)28-29-30(6,7)26(3,4)5/h9,13-15,18-19,24-25H,2,8,10-12,16-17,20-22H2,1,3-7H3
InChIKeyHWTLKJQZKZUBST-UHFFFAOYSA-N
XLogP8.22
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.74
LogP ≤ 58.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

[(4R,6R)-6-phenylmethoxydec-1-en-4-yl] prop-2-enoate
CID 25105662
tert-butyl-(7-iodotridec-1-en-4-ylperoxy)-dimethylsilane
CID 86053175
benzyl (2R,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hexyl-5-phenylmethoxyhexadecanoate
CID 58361991
(3R)-3-phenylmethoxyoctadecanal
CID 71606936
[(4R,6S,8S,10S,12R)-6,8-bis(methoxymethoxy)-10-[(4-methoxyphenyl)methoxy]-12-phenylmethoxyheptacos-1-en-4-yl] tert-butyl carbonate
CID 71604764
(3R,8R)-3-[tert-butyl(dimethyl)silyl]oxy-8-phenylmethoxydecanedial
CID 101138351
tert-butyl-[(4S,7R)-4-[tert-butyl(dimethyl)silyl]oxyhenicos-1-en-7-yl]oxy-dimethylsilane
CID 11215040
(2S)-2-phenylmethoxyicosan-1-ol
CID 168831191
phenyl (3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxyoct-7-enoate
CID 24997824
octa-1,7-dien-4-yloxymethylbenzene
CID 90067703
tert-butyl-diphenyl-[(3R)-3-phenylmethoxytetradecoxy]silane
CID 10030673
(2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-hexadecoxy-3-phenylmethoxyhex-5-enal
CID 101388981

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-(6-phenylmethoxytridec-1-en-4-ylperoxy)silane?
The IUPAC name of tert-butyl-dimethyl-(6-phenylmethoxytridec-1-en-4-ylperoxy)silane (CID 102465931) is tert-butyl-dimethyl-(6-phenylmethoxytridec-1-en-4-ylperoxy)silane.
What is the SMILES notation for tert-butyl-dimethyl-(6-phenylmethoxytridec-1-en-4-ylperoxy)silane?
The canonical SMILES for tert-butyl-dimethyl-(6-phenylmethoxytridec-1-en-4-ylperoxy)silane is C=CCC(CC(CCCCCCC)OCc1ccccc1)OO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-(6-phenylmethoxytridec-1-en-4-ylperoxy)silane?
The InChIKey is HWTLKJQZKZUBST-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H46O3Si/c1-8-10-11-12-16-20-24(27-22-23-18-14-13-15-19-23)21-25(17-9-2)28-29-30(6,7)26(3,4)5/h9,13-15,18-19,24-25H,2,8,10-12,16-17,20-22H2,1,3-7H3.
What are the key properties of tert-butyl-dimethyl-(6-phenylmethoxytridec-1-en-4-ylperoxy)silane?
tert-butyl-dimethyl-(6-phenylmethoxytridec-1-en-4-ylperoxy)silane has a molecular weight of 434.74 g/mol, XLogP of 8.22, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-(6-phenylmethoxytridec-1-en-4-ylperoxy)silane is sourced from PubChem (CID 102465931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).