[(E)-8-phenoxyoct-6-en-1-ynyl]-tri(propan-2-yl)silane

C23H36OSi — CID 154631759

IUPAC[(E)-8-phenoxyoct-6-en-1-ynyl]-tri(propan-2-yl)silane
SMILESCC(C)[Si](C#CCCC/C=C/COc1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C23H36OSi/c1-20(2)25(21(3)4,22(5)6)19-15-10-8-7-9-14-18-24-23-16-12-11-13-17-23/h9,11-14,16-17,20-22H,7-8,10,18H2,1-6H3/b14-9+
InChIKeyWUPGVAGUQNZWSE-NTEUORMPSA-N
MW356.63 g/mol
LogP7.01
Rot. Bonds9

About [(E)-8-phenoxyoct-6-en-1-ynyl]-tri(propan-2-yl)silane

[(E)-8-phenoxyoct-6-en-1-ynyl]-tri(propan-2-yl)silane (PubChem CID 154631759) has the molecular formula C23H36OSi and a molecular weight of 356.63 g/mol. Its IUPAC name is [(E)-8-phenoxyoct-6-en-1-ynyl]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(E)-8-phenoxyoct-6-en-1-ynyl]-tri(propan-2-yl)silane
PubChem CID154631759
Molecular FormulaC23H36OSi
Molecular Weight356.63 g/mol
Exact Mass356.25
IUPAC Name[(E)-8-phenoxyoct-6-en-1-ynyl]-tri(propan-2-yl)silane
SMILESCC(C)[Si](C#CCCC/C=C/COc1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C23H36OSi/c1-20(2)25(21(3)4,22(5)6)19-15-10-8-7-9-14-18-24-23-16-12-11-13-17-23/h9,11-14,16-17,20-22H,7-8,10,18H2,1-6H3/b14-9+
InChIKeyWUPGVAGUQNZWSE-NTEUORMPSA-N
XLogP7.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.63
LogP ≤ 57.01
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

6-phenoxyhex-1-ynyl-tri(propan-2-yl)silane
CID 102126076
(E)-8-phenoxyoct-6-en-1-ol
CID 15291184
6-phenylhept-6-en-1-ynyl-tri(propan-2-yl)silane
CID 175036788
but-2-enoxybenzene
CID 564963
(E)-N-methyl-4-phenoxybut-2-en-1-amine
CID 112547311
methyl (E)-3-oxo-9-phenoxynon-7-enoate
CID 12827967
4-phenoxybut-2-en-1-amine
CID 68864521
triethyl(3-phenoxyprop-1-enyl)silane
CID 23265308
(E)-1-phenyl-6-tri(propan-2-yl)silylhex-1-en-5-yn-3-ol
CID 164687145
hexa-2,4-dienoxybenzene;titanium
CID 87665934
CID 70492452
CID 70492452
trimethyl-[(Z)-9-phenylnon-2-en-8-ynyl]silane
CID 10956601

Frequently Asked Questions

What is the IUPAC name of [(E)-8-phenoxyoct-6-en-1-ynyl]-tri(propan-2-yl)silane?
The IUPAC name of [(E)-8-phenoxyoct-6-en-1-ynyl]-tri(propan-2-yl)silane (CID 154631759) is [(E)-8-phenoxyoct-6-en-1-ynyl]-tri(propan-2-yl)silane.
What is the SMILES notation for [(E)-8-phenoxyoct-6-en-1-ynyl]-tri(propan-2-yl)silane?
The canonical SMILES for [(E)-8-phenoxyoct-6-en-1-ynyl]-tri(propan-2-yl)silane is CC(C)[Si](C#CCCC/C=C/COc1ccccc1)(C(C)C)C(C)C.
What is the InChIKey of [(E)-8-phenoxyoct-6-en-1-ynyl]-tri(propan-2-yl)silane?
The InChIKey is WUPGVAGUQNZWSE-NTEUORMPSA-N. The full InChI is InChI=1S/C23H36OSi/c1-20(2)25(21(3)4,22(5)6)19-15-10-8-7-9-14-18-24-23-16-12-11-13-17-23/h9,11-14,16-17,20-22H,7-8,10,18H2,1-6H3/b14-9+.
What are the key properties of [(E)-8-phenoxyoct-6-en-1-ynyl]-tri(propan-2-yl)silane?
[(E)-8-phenoxyoct-6-en-1-ynyl]-tri(propan-2-yl)silane has a molecular weight of 356.63 g/mol, XLogP of 7.01, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-8-phenoxyoct-6-en-1-ynyl]-tri(propan-2-yl)silane is sourced from PubChem (CID 154631759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).