[1-(4-chlorophenyl)-2-methylideneoctoxy]-triethylsilane

C21H35ClOSi — CID 72724101

IUPAC[1-(4-chlorophenyl)-2-methylideneoctoxy]-triethylsilane
SMILESC=C(CCCCCC)C(O[Si](CC)(CC)CC)c1ccc(Cl)cc1
InChIInChI=1S/C21H35ClOSi/c1-6-10-11-12-13-18(5)21(19-14-16-20(22)17-15-19)23-24(7-2,8-3)9-4/h14-17,21H,5-13H2,1-4H3
InChIKeyFKHMIWQKJCMCLJ-UHFFFAOYSA-N
MW367.05 g/mol
LogP7.93
Rot. Bonds12

About [1-(4-chlorophenyl)-2-methylideneoctoxy]-triethylsilane

[1-(4-chlorophenyl)-2-methylideneoctoxy]-triethylsilane (PubChem CID 72724101) has the molecular formula C21H35ClOSi and a molecular weight of 367.05 g/mol. Its IUPAC name is [1-(4-chlorophenyl)-2-methylideneoctoxy]-triethylsilane.

Molecular Properties

Compound Name[1-(4-chlorophenyl)-2-methylideneoctoxy]-triethylsilane
PubChem CID72724101
Molecular FormulaC21H35ClOSi
Molecular Weight367.05 g/mol
Exact Mass366.21
IUPAC Name[1-(4-chlorophenyl)-2-methylideneoctoxy]-triethylsilane
SMILESC=C(CCCCCC)C(O[Si](CC)(CC)CC)c1ccc(Cl)cc1
InChIInChI=1S/C21H35ClOSi/c1-6-10-11-12-13-18(5)21(19-14-16-20(22)17-15-19)23-24(7-2,8-3)9-4/h14-17,21H,5-13H2,1-4H3
InChIKeyFKHMIWQKJCMCLJ-UHFFFAOYSA-N
XLogP7.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.05
LogP ≤ 57.93
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'}

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Related Compounds

alpha-(Difluoromethylene)-4-chlorobenzyloxytrimethylsilane
CID 11747440
Triethyl(4-chlorobenzyloxy)silane
CID 580827
Trimethylsiloxy 4-chlorophenylacetonitrile
CID 10776410
1-Chloro-4-(1-methoxyethyl)benzene
CID 10975934
Silane, (1,1-dimethylethyl)dimethyl[(1-phenyl-3-butenyl)oxy]-
CID 11230810
1-Chloro-4-((((1,1-dimethylethyl)dimethylsilyl)oxy)methyl)benzene
CID 11299849
Dimethyl-oct-1-en-2-yl-(1-phenylbut-3-enoxy)silane
CID 11370512
Trimethyl-(2,2,2-trichloro-1-phenylethoxy)silane
CID 12566350
Tert-butyl-[1-(4-chlorophenyl)but-3-enoxy]-dimethylsilane
CID 89510156
2-Chloro-6-fluorobenzyl alcohol, benzyldimethylsilyl ether
CID 91735267
1-(4-Chlorophenyl)heptan-1-ol
CID 62608718
2-Chloro-6-fluorobenzyl alcohol, tert-butyldimethylsilyl ether
CID 91733153

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)-2-methylideneoctoxy]-triethylsilane?
The IUPAC name of [1-(4-chlorophenyl)-2-methylideneoctoxy]-triethylsilane (CID 72724101) is [1-(4-chlorophenyl)-2-methylideneoctoxy]-triethylsilane.
What is the SMILES notation for [1-(4-chlorophenyl)-2-methylideneoctoxy]-triethylsilane?
The canonical SMILES for [1-(4-chlorophenyl)-2-methylideneoctoxy]-triethylsilane is C=C(CCCCCC)C(O[Si](CC)(CC)CC)c1ccc(Cl)cc1.
What is the InChIKey of [1-(4-chlorophenyl)-2-methylideneoctoxy]-triethylsilane?
The InChIKey is FKHMIWQKJCMCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35ClOSi/c1-6-10-11-12-13-18(5)21(19-14-16-20(22)17-15-19)23-24(7-2,8-3)9-4/h14-17,21H,5-13H2,1-4H3.
What are the key properties of [1-(4-chlorophenyl)-2-methylideneoctoxy]-triethylsilane?
[1-(4-chlorophenyl)-2-methylideneoctoxy]-triethylsilane has a molecular weight of 367.05 g/mol, XLogP of 7.93, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)-2-methylideneoctoxy]-triethylsilane is sourced from PubChem (CID 72724101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).