dichloro-[3-[(4-ethenylphenyl)methoxy]propyl]-methylsilane

C13H18Cl2OSi — CID 54364407

IUPACdichloro-[3-[(4-ethenylphenyl)methoxy]propyl]-methylsilane
SMILESC=Cc1ccc(COCCC[Si](C)(Cl)Cl)cc1
InChIInChI=1S/C13H18Cl2OSi/c1-3-12-5-7-13(8-6-12)11-16-9-4-10-17(2,14)15/h3,5-8H,1,4,9-11H2,2H3
InChIKeyUOTRXMUHYVVYMH-UHFFFAOYSA-N
MW289.28 g/mol
LogP4.79
Rot. Bonds7

About dichloro-[3-[(4-ethenylphenyl)methoxy]propyl]-methylsilane

dichloro-[3-[(4-ethenylphenyl)methoxy]propyl]-methylsilane (PubChem CID 54364407) has the molecular formula C13H18Cl2OSi and a molecular weight of 289.28 g/mol. Its IUPAC name is dichloro-[3-[(4-ethenylphenyl)methoxy]propyl]-methylsilane.

Molecular Properties

Compound Namedichloro-[3-[(4-ethenylphenyl)methoxy]propyl]-methylsilane
PubChem CID54364407
Molecular FormulaC13H18Cl2OSi
Molecular Weight289.28 g/mol
Exact Mass288.05
IUPAC Namedichloro-[3-[(4-ethenylphenyl)methoxy]propyl]-methylsilane
SMILESC=Cc1ccc(COCCC[Si](C)(Cl)Cl)cc1
InChIInChI=1S/C13H18Cl2OSi/c1-3-12-5-7-13(8-6-12)11-16-9-4-10-17(2,14)15/h3,5-8H,1,4,9-11H2,2H3
InChIKeyUOTRXMUHYVVYMH-UHFFFAOYSA-N
XLogP4.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.28
LogP ≤ 54.79
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': 'silicon_halogen', 'substructure': 'N/A'}

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Related Compounds

1-ethenyl-4-(pentoxymethyl)benzene
CID 12541564
1-ethenyl-4-[2-[2-[2-[2-[(4-ethenylphenyl)methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]benzene
CID 10550369
3-[(4-ethenylphenyl)methoxy]propan-1-amine
CID 164938330
1-ethenyl-4-(2-octoxyethoxymethyl)benzene
CID 156621378
16-[(4-ethenylphenyl)methoxy]hexadecan-1-amine
CID 176835378
1-ethenyl-4-[2-(2-propoxyethoxy)ethoxymethyl]benzene
CID 123157384
4-[(4-ethenylphenyl)methoxy]butyl-dimethoxysilane
CID 173322451
2-[(4-ethenylphenyl)methoxy]ethyl-dimethoxysilane
CID 154323756
2-[2-[(4-ethenylphenyl)methoxy]ethoxy]-N,N-dimethylethanamine
CID 58592129
(4-ethenylphenyl)methoxymethylsilane
CID 159198884
3-[(3-ethenylphenyl)methoxy]propyl-diethoxy-methylsilane
CID 139617910
N-[2-[(4-ethenylphenyl)methoxy]ethyl]-N,2-dimethylpropan-2-amine
CID 118177639

Frequently Asked Questions

What is the IUPAC name of dichloro-[3-[(4-ethenylphenyl)methoxy]propyl]-methylsilane?
The IUPAC name of dichloro-[3-[(4-ethenylphenyl)methoxy]propyl]-methylsilane (CID 54364407) is dichloro-[3-[(4-ethenylphenyl)methoxy]propyl]-methylsilane.
What is the SMILES notation for dichloro-[3-[(4-ethenylphenyl)methoxy]propyl]-methylsilane?
The canonical SMILES for dichloro-[3-[(4-ethenylphenyl)methoxy]propyl]-methylsilane is C=Cc1ccc(COCCC[Si](C)(Cl)Cl)cc1.
What is the InChIKey of dichloro-[3-[(4-ethenylphenyl)methoxy]propyl]-methylsilane?
The InChIKey is UOTRXMUHYVVYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2OSi/c1-3-12-5-7-13(8-6-12)11-16-9-4-10-17(2,14)15/h3,5-8H,1,4,9-11H2,2H3.
What are the key properties of dichloro-[3-[(4-ethenylphenyl)methoxy]propyl]-methylsilane?
dichloro-[3-[(4-ethenylphenyl)methoxy]propyl]-methylsilane has a molecular weight of 289.28 g/mol, XLogP of 4.79, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-[3-[(4-ethenylphenyl)methoxy]propyl]-methylsilane is sourced from PubChem (CID 54364407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).