tert-butyl-dimethyl-[(Z)-1-phenyloct-5-en-3-yl]oxysilane;carbon dioxide

C21H34O3Si — CID 158278224

IUPACtert-butyl-dimethyl-[(Z)-1-phenyloct-5-en-3-yl]oxysilane;carbon dioxide
SMILESCC/C=C\CC(CCc1ccccc1)O[Si](C)(C)C(C)(C)C.O=C=O
InChIInChI=1S/C20H34OSi.CO2/c1-7-8-10-15-19(21-22(5,6)20(2,3)4)17-16-18-13-11-9-12-14-18;2-1-3/h8-14,19H,7,15-17H2,1-6H3;/b10-8-;
InChIKeyGJWOELQUMJEIBM-DQMXGCRQSA-N
MW362.59 g/mol
LogP5.78
Rot. Bonds8

About tert-butyl-dimethyl-[(Z)-1-phenyloct-5-en-3-yl]oxysilane;carbon dioxide

tert-butyl-dimethyl-[(Z)-1-phenyloct-5-en-3-yl]oxysilane;carbon dioxide (PubChem CID 158278224) has the molecular formula C21H34O3Si and a molecular weight of 362.59 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(Z)-1-phenyloct-5-en-3-yl]oxysilane;carbon dioxide.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(Z)-1-phenyloct-5-en-3-yl]oxysilane;carbon dioxide
PubChem CID158278224
Molecular FormulaC21H34O3Si
Molecular Weight362.59 g/mol
Exact Mass362.23
IUPAC Nametert-butyl-dimethyl-[(Z)-1-phenyloct-5-en-3-yl]oxysilane;carbon dioxide
SMILESCC/C=C\CC(CCc1ccccc1)O[Si](C)(C)C(C)(C)C.O=C=O
InChIInChI=1S/C20H34OSi.CO2/c1-7-8-10-15-19(21-22(5,6)20(2,3)4)17-16-18-13-11-9-12-14-18;2-1-3/h8-14,19H,7,15-17H2,1-6H3;/b10-8-;
InChIKeyGJWOELQUMJEIBM-DQMXGCRQSA-N
XLogP5.78
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.59
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutan-1-ol
CID 139246891
tert-butyl-dimethyl-(1-phenylhex-5-yn-3-yloxy)silane
CID 139249096
ethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-9-phenylnon-2-enoate
CID 134835436
tert-butyl-dimethyl-[1-(oxetan-2-yl)-4-phenylbutan-2-yl]oxysilane
CID 101441536
(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-N-methyl-6-phenylhexan-2-amine
CID 25179193
(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-phenylpentanal
CID 53259150
methyl (2Z,5R,7E)-5-[tert-butyl(dimethyl)silyl]oxy-9-oxo-11-phenylundeca-2,7-dienoate
CID 134833844
(3R,8R)-3-[tert-butyl(dimethyl)silyl]oxy-8-phenylmethoxydecanedial
CID 101138351
(3R)-5-phenyl-3-triethylsilyloxypentanal
CID 87401786
(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-phenylpentan-3-ol
CID 57308546
(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpentan-2-ol
CID 67144308
(5E,9E)-1-phenyldodeca-5,9-dien-3-ol
CID 102008649

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(Z)-1-phenyloct-5-en-3-yl]oxysilane;carbon dioxide?
The IUPAC name of tert-butyl-dimethyl-[(Z)-1-phenyloct-5-en-3-yl]oxysilane;carbon dioxide (CID 158278224) is tert-butyl-dimethyl-[(Z)-1-phenyloct-5-en-3-yl]oxysilane;carbon dioxide.
What is the SMILES notation for tert-butyl-dimethyl-[(Z)-1-phenyloct-5-en-3-yl]oxysilane;carbon dioxide?
The canonical SMILES for tert-butyl-dimethyl-[(Z)-1-phenyloct-5-en-3-yl]oxysilane;carbon dioxide is CC/C=C\CC(CCc1ccccc1)O[Si](C)(C)C(C)(C)C.O=C=O.
What is the InChIKey of tert-butyl-dimethyl-[(Z)-1-phenyloct-5-en-3-yl]oxysilane;carbon dioxide?
The InChIKey is GJWOELQUMJEIBM-DQMXGCRQSA-N. The full InChI is InChI=1S/C20H34OSi.CO2/c1-7-8-10-15-19(21-22(5,6)20(2,3)4)17-16-18-13-11-9-12-14-18;2-1-3/h8-14,19H,7,15-17H2,1-6H3;/b10-8-;.
What are the key properties of tert-butyl-dimethyl-[(Z)-1-phenyloct-5-en-3-yl]oxysilane;carbon dioxide?
tert-butyl-dimethyl-[(Z)-1-phenyloct-5-en-3-yl]oxysilane;carbon dioxide has a molecular weight of 362.59 g/mol, XLogP of 5.78, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(Z)-1-phenyloct-5-en-3-yl]oxysilane;carbon dioxide is sourced from PubChem (CID 158278224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).