triethyl-[(Z,3S,4S)-2-methyl-4,7-diphenylhept-5-en-3-yl]oxysilane

C26H38OSi — CID 134940564

IUPACtriethyl-[(Z,3S,4S)-2-methyl-4,7-diphenylhept-5-en-3-yl]oxysilane
SMILESCC[Si](CC)(CC)O[C@@H](C(C)C)[C@@H](/C=C\Cc1ccccc1)c1ccccc1
InChIInChI=1S/C26H38OSi/c1-6-28(7-2,8-3)27-26(22(4)5)25(24-19-13-10-14-20-24)21-15-18-23-16-11-9-12-17-23/h9-17,19-22,25-26H,6-8,18H2,1-5H3/b21-15-/t25-,26-/m0/s1
InChIKeyUCYOALPIZGGWLZ-OMOZCQPXSA-N
MW394.68 g/mol
LogP7.62
Rot. Bonds11

About triethyl-[(Z,3S,4S)-2-methyl-4,7-diphenylhept-5-en-3-yl]oxysilane

triethyl-[(Z,3S,4S)-2-methyl-4,7-diphenylhept-5-en-3-yl]oxysilane (PubChem CID 134940564) has the molecular formula C26H38OSi and a molecular weight of 394.68 g/mol. Its IUPAC name is triethyl-[(Z,3S,4S)-2-methyl-4,7-diphenylhept-5-en-3-yl]oxysilane.

Molecular Properties

Compound Nametriethyl-[(Z,3S,4S)-2-methyl-4,7-diphenylhept-5-en-3-yl]oxysilane
PubChem CID134940564
Molecular FormulaC26H38OSi
Molecular Weight394.68 g/mol
Exact Mass394.27
IUPAC Nametriethyl-[(Z,3S,4S)-2-methyl-4,7-diphenylhept-5-en-3-yl]oxysilane
SMILESCC[Si](CC)(CC)O[C@@H](C(C)C)[C@@H](/C=C\Cc1ccccc1)c1ccccc1
InChIInChI=1S/C26H38OSi/c1-6-28(7-2,8-3)27-26(22(4)5)25(24-19-13-10-14-20-24)21-15-18-23-16-11-9-12-17-23/h9-17,19-22,25-26H,6-8,18H2,1-5H3/b21-15-/t25-,26-/m0/s1
InChIKeyUCYOALPIZGGWLZ-OMOZCQPXSA-N
XLogP7.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.68
LogP ≤ 57.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze triethyl-[(Z,3S,4S)-2-methyl-4,7-diphenylhept-5-en-3-yl]oxysilane with MolForge

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Related Compounds

4-phenylpent-2-enylbenzene
CID 72731182
triethyl(3-phenylprop-1-enoxy)silane
CID 612932
(3S)-3-phenyl-3-triethylsilyloxypropanal
CID 10923425
(E,4R,5S)-4-methyl-6-phenylmethoxy-5-triethylsilyloxyhex-2-en-1-ol
CID 15396344
(2S,3R)-2-methyl-5-phenyl-3-triethylsilyloxypentanal
CID 10590802
methane;triethyl-[fluoro(phenyl)methoxy]silane
CID 20979577
(E,4S,5S)-4-methyl-7-phenylmethoxy-5-triethylsilyloxyhept-2-en-1-ol
CID 11824661
(2R,3S)-2,4-dimethyl-3-triethylsilyloxypentanal
CID 15440865
dimethyl-phenyl-[(E)-5-phenyl-5-triethylsilyloxypent-2-enyl]silane
CID 101268888
[ethoxy(phenyl)methoxy]-triethylsilane
CID 139842953
(3R)-5-phenyl-3-triethylsilyloxypentanal
CID 87401786
(E,2S,3R)-2-amino-6-phenylhex-4-en-3-ol
CID 54753064

Frequently Asked Questions

What is the IUPAC name of triethyl-[(Z,3S,4S)-2-methyl-4,7-diphenylhept-5-en-3-yl]oxysilane?
The IUPAC name of triethyl-[(Z,3S,4S)-2-methyl-4,7-diphenylhept-5-en-3-yl]oxysilane (CID 134940564) is triethyl-[(Z,3S,4S)-2-methyl-4,7-diphenylhept-5-en-3-yl]oxysilane.
What is the SMILES notation for triethyl-[(Z,3S,4S)-2-methyl-4,7-diphenylhept-5-en-3-yl]oxysilane?
The canonical SMILES for triethyl-[(Z,3S,4S)-2-methyl-4,7-diphenylhept-5-en-3-yl]oxysilane is CC[Si](CC)(CC)O[C@@H](C(C)C)[C@@H](/C=C\Cc1ccccc1)c1ccccc1.
What is the InChIKey of triethyl-[(Z,3S,4S)-2-methyl-4,7-diphenylhept-5-en-3-yl]oxysilane?
The InChIKey is UCYOALPIZGGWLZ-OMOZCQPXSA-N. The full InChI is InChI=1S/C26H38OSi/c1-6-28(7-2,8-3)27-26(22(4)5)25(24-19-13-10-14-20-24)21-15-18-23-16-11-9-12-17-23/h9-17,19-22,25-26H,6-8,18H2,1-5H3/b21-15-/t25-,26-/m0/s1.
What are the key properties of triethyl-[(Z,3S,4S)-2-methyl-4,7-diphenylhept-5-en-3-yl]oxysilane?
triethyl-[(Z,3S,4S)-2-methyl-4,7-diphenylhept-5-en-3-yl]oxysilane has a molecular weight of 394.68 g/mol, XLogP of 7.62, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(Z,3S,4S)-2-methyl-4,7-diphenylhept-5-en-3-yl]oxysilane is sourced from PubChem (CID 134940564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).