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

C22H37ClOSi — CID 11234375

IUPAC[(Z,1R)-2-butyl-1-(4-chlorophenyl)hex-2-enoxy]-triethylsilane
SMILESCCC/C=C(/CCCC)[C@@H](O[Si](CC)(CC)CC)c1ccc(Cl)cc1
InChIInChI=1S/C22H37ClOSi/c1-6-11-13-19(14-12-7-2)22(20-15-17-21(23)18-16-20)24-25(8-3,9-4)10-5/h13,15-18,22H,6-12,14H2,1-5H3/b19-13-/t22-/m1/s1
InChIKeyMKLAUJDGYGQHQY-DUBROFONSA-N
MW381.08 g/mol
LogP8.32
Rot. Bonds12

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

[(Z,1R)-2-butyl-1-(4-chlorophenyl)hex-2-enoxy]-triethylsilane (PubChem CID 11234375) has the molecular formula C22H37ClOSi and a molecular weight of 381.08 g/mol. Its IUPAC name is [(Z,1R)-2-butyl-1-(4-chlorophenyl)hex-2-enoxy]-triethylsilane.

Molecular Properties

Compound Name[(Z,1R)-2-butyl-1-(4-chlorophenyl)hex-2-enoxy]-triethylsilane
PubChem CID11234375
Molecular FormulaC22H37ClOSi
Molecular Weight381.08 g/mol
Exact Mass380.23
IUPAC Name[(Z,1R)-2-butyl-1-(4-chlorophenyl)hex-2-enoxy]-triethylsilane
SMILESCCC/C=C(/CCCC)[C@@H](O[Si](CC)(CC)CC)c1ccc(Cl)cc1
InChIInChI=1S/C22H37ClOSi/c1-6-11-13-19(14-12-7-2)22(20-15-17-21(23)18-16-20)24-25(8-3,9-4)10-5/h13,15-18,22H,6-12,14H2,1-5H3/b19-13-/t22-/m1/s1
InChIKeyMKLAUJDGYGQHQY-DUBROFONSA-N
XLogP8.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.08
LogP ≤ 58.32
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'}

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Related Compounds

CID 11747440
CID 11747440
CID 580827
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CID 10776410
CID 10776410
CID 10975934
CID 10975934
CID 11230810
CID 11230810
CID 11299849
CID 11299849
CID 11370512
CID 11370512
CID 12566350
CID 12566350
CID 89510156
CID 89510156
CID 91735267
CID 91735267
CID 62608718
CID 62608718
CID 91733153
CID 91733153

Frequently Asked Questions

What is the IUPAC name of [(Z,1R)-2-butyl-1-(4-chlorophenyl)hex-2-enoxy]-triethylsilane?
The IUPAC name of [(Z,1R)-2-butyl-1-(4-chlorophenyl)hex-2-enoxy]-triethylsilane (CID 11234375) is [(Z,1R)-2-butyl-1-(4-chlorophenyl)hex-2-enoxy]-triethylsilane.
What is the SMILES notation for [(Z,1R)-2-butyl-1-(4-chlorophenyl)hex-2-enoxy]-triethylsilane?
The canonical SMILES for [(Z,1R)-2-butyl-1-(4-chlorophenyl)hex-2-enoxy]-triethylsilane is CCC/C=C(/CCCC)[C@@H](O[Si](CC)(CC)CC)c1ccc(Cl)cc1.
What is the InChIKey of [(Z,1R)-2-butyl-1-(4-chlorophenyl)hex-2-enoxy]-triethylsilane?
The InChIKey is MKLAUJDGYGQHQY-DUBROFONSA-N. The full InChI is InChI=1S/C22H37ClOSi/c1-6-11-13-19(14-12-7-2)22(20-15-17-21(23)18-16-20)24-25(8-3,9-4)10-5/h13,15-18,22H,6-12,14H2,1-5H3/b19-13-/t22-/m1/s1.
What are the key properties of [(Z,1R)-2-butyl-1-(4-chlorophenyl)hex-2-enoxy]-triethylsilane?
[(Z,1R)-2-butyl-1-(4-chlorophenyl)hex-2-enoxy]-triethylsilane has a molecular weight of 381.08 g/mol, XLogP of 8.32, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z,1R)-2-butyl-1-(4-chlorophenyl)hex-2-enoxy]-triethylsilane is sourced from PubChem (CID 11234375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).