[(Z,1R)-2-butyl-1-(4-methoxyphenyl)hex-2-enoxy]-triethylsilane

C23H40O2Si — CID 102351337

IUPAC[(Z,1R)-2-butyl-1-(4-methoxyphenyl)hex-2-enoxy]-triethylsilane
SMILESCCC/C=C(/CCCC)[C@@H](O[Si](CC)(CC)CC)c1ccc(OC)cc1
InChIInChI=1S/C23H40O2Si/c1-7-12-14-20(15-13-8-2)23(25-26(9-3,10-4)11-5)21-16-18-22(24-6)19-17-21/h14,16-19,23H,7-13,15H2,1-6H3/b20-14-/t23-/m1/s1
InChIKeyAIMZLANWHHCECX-QFXXMJIKSA-N
MW376.66 g/mol
LogP7.67
Rot. Bonds13

About [(Z,1R)-2-butyl-1-(4-methoxyphenyl)hex-2-enoxy]-triethylsilane

[(Z,1R)-2-butyl-1-(4-methoxyphenyl)hex-2-enoxy]-triethylsilane (PubChem CID 102351337) has the molecular formula C23H40O2Si and a molecular weight of 376.66 g/mol. Its IUPAC name is [(Z,1R)-2-butyl-1-(4-methoxyphenyl)hex-2-enoxy]-triethylsilane.

Molecular Properties

Compound Name[(Z,1R)-2-butyl-1-(4-methoxyphenyl)hex-2-enoxy]-triethylsilane
PubChem CID102351337
Molecular FormulaC23H40O2Si
Molecular Weight376.66 g/mol
Exact Mass376.28
IUPAC Name[(Z,1R)-2-butyl-1-(4-methoxyphenyl)hex-2-enoxy]-triethylsilane
SMILESCCC/C=C(/CCCC)[C@@H](O[Si](CC)(CC)CC)c1ccc(OC)cc1
InChIInChI=1S/C23H40O2Si/c1-7-12-14-20(15-13-8-2)23(25-26(9-3,10-4)11-5)21-16-18-22(24-6)19-17-21/h14,16-19,23H,7-13,15H2,1-6H3/b20-14-/t23-/m1/s1
InChIKeyAIMZLANWHHCECX-QFXXMJIKSA-N
XLogP7.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.66
LogP ≤ 57.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

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CID 134880448
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(E)-2-(4-methoxyphenyl)hex-2-enamide
CID 67977554
2-(4-methoxyphenyl)octan-3-one
CID 71426807
(1S)-1-(4-methoxyphenyl)hexan-1-ol
CID 102325483
1-[(1S)-1-butoxyethyl]-4-methoxybenzene
CID 102525034
2-ethenylidene-1-(4-methoxyphenyl)hexan-1-ol
CID 102480284
1-methoxy-4-nonan-5-ylbenzene
CID 14937032

Frequently Asked Questions

What is the IUPAC name of [(Z,1R)-2-butyl-1-(4-methoxyphenyl)hex-2-enoxy]-triethylsilane?
The IUPAC name of [(Z,1R)-2-butyl-1-(4-methoxyphenyl)hex-2-enoxy]-triethylsilane (CID 102351337) is [(Z,1R)-2-butyl-1-(4-methoxyphenyl)hex-2-enoxy]-triethylsilane.
What is the SMILES notation for [(Z,1R)-2-butyl-1-(4-methoxyphenyl)hex-2-enoxy]-triethylsilane?
The canonical SMILES for [(Z,1R)-2-butyl-1-(4-methoxyphenyl)hex-2-enoxy]-triethylsilane is CCC/C=C(/CCCC)[C@@H](O[Si](CC)(CC)CC)c1ccc(OC)cc1.
What is the InChIKey of [(Z,1R)-2-butyl-1-(4-methoxyphenyl)hex-2-enoxy]-triethylsilane?
The InChIKey is AIMZLANWHHCECX-QFXXMJIKSA-N. The full InChI is InChI=1S/C23H40O2Si/c1-7-12-14-20(15-13-8-2)23(25-26(9-3,10-4)11-5)21-16-18-22(24-6)19-17-21/h14,16-19,23H,7-13,15H2,1-6H3/b20-14-/t23-/m1/s1.
What are the key properties of [(Z,1R)-2-butyl-1-(4-methoxyphenyl)hex-2-enoxy]-triethylsilane?
[(Z,1R)-2-butyl-1-(4-methoxyphenyl)hex-2-enoxy]-triethylsilane has a molecular weight of 376.66 g/mol, XLogP of 7.67, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z,1R)-2-butyl-1-(4-methoxyphenyl)hex-2-enoxy]-triethylsilane is sourced from PubChem (CID 102351337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).