3-[(3-ethenylphenyl)methoxy]propyl-diethoxy-methylsilane

C17H28O3Si — CID 139617910

IUPAC3-[(3-ethenylphenyl)methoxy]propyl-diethoxy-methylsilane
SMILESC=Cc1cccc(COCCC[Si](C)(OCC)OCC)c1
InChIInChI=1S/C17H28O3Si/c1-5-16-10-8-11-17(14-16)15-18-12-9-13-21(4,19-6-2)20-7-3/h5,8,10-11,14H,1,6-7,9,12-13,15H2,2-4H3
InChIKeyLSFISTYCWYTXEN-UHFFFAOYSA-N
MW308.49 g/mol
LogP4.38
Rot. Bonds11

About 3-[(3-ethenylphenyl)methoxy]propyl-diethoxy-methylsilane

3-[(3-ethenylphenyl)methoxy]propyl-diethoxy-methylsilane (PubChem CID 139617910) has the molecular formula C17H28O3Si and a molecular weight of 308.49 g/mol. Its IUPAC name is 3-[(3-ethenylphenyl)methoxy]propyl-diethoxy-methylsilane.

Molecular Properties

Compound Name3-[(3-ethenylphenyl)methoxy]propyl-diethoxy-methylsilane
PubChem CID139617910
Molecular FormulaC17H28O3Si
Molecular Weight308.49 g/mol
Exact Mass308.18
IUPAC Name3-[(3-ethenylphenyl)methoxy]propyl-diethoxy-methylsilane
SMILESC=Cc1cccc(COCCC[Si](C)(OCC)OCC)c1
InChIInChI=1S/C17H28O3Si/c1-5-16-10-8-11-17(14-16)15-18-12-9-13-21(4,19-6-2)20-7-3/h5,8,10-11,14H,1,6-7,9,12-13,15H2,2-4H3
InChIKeyLSFISTYCWYTXEN-UHFFFAOYSA-N
XLogP4.38
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.49
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3-ethenylphenyl)methoxy-ethoxy-dipropylsilane
CID 140668188
1-ethenyl-3-[2-[2-[(3-ethenylphenyl)methoxy]ethoxymethoxy]ethoxymethyl]benzene
CID 159641511
3-(3-ethenylphenoxy)propyl-ethoxy-dimethylsilane
CID 19006567
1-ethenyl-3-(phenylmethoxymethyl)benzene
CID 10443616
2-[[3-[2-[diethoxy(methyl)silyl]ethyl]phenyl]methoxy]-N-methylethanamine
CID 67881129
1,3-bis(ethenyl)benzene;tetraethyl silicate
CID 175524918
(3-ethenylphenyl)methoxy-ethyl-dimethoxysilane
CID 154075107
chloro-[3-[[3-[3-[chloro(dimethyl)silyl]propoxymethyl]phenyl]methoxy]propyl]-dimethylsilane
CID 90027286
N-[(3-ethenylphenyl)methyl]-3-triethoxysilylpropan-1-amine
CID 54124529
dichloro-[3-[(4-ethenylphenyl)methoxy]propyl]-methylsilane
CID 54364407
1-ethenyl-3-(2,2,2-trifluoroethoxymethyl)benzene
CID 86122980
O-[(3-ethenylphenyl)methyl]hydroxylamine
CID 100921787

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethenylphenyl)methoxy]propyl-diethoxy-methylsilane?
The IUPAC name of 3-[(3-ethenylphenyl)methoxy]propyl-diethoxy-methylsilane (CID 139617910) is 3-[(3-ethenylphenyl)methoxy]propyl-diethoxy-methylsilane.
What is the SMILES notation for 3-[(3-ethenylphenyl)methoxy]propyl-diethoxy-methylsilane?
The canonical SMILES for 3-[(3-ethenylphenyl)methoxy]propyl-diethoxy-methylsilane is C=Cc1cccc(COCCC[Si](C)(OCC)OCC)c1.
What is the InChIKey of 3-[(3-ethenylphenyl)methoxy]propyl-diethoxy-methylsilane?
The InChIKey is LSFISTYCWYTXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O3Si/c1-5-16-10-8-11-17(14-16)15-18-12-9-13-21(4,19-6-2)20-7-3/h5,8,10-11,14H,1,6-7,9,12-13,15H2,2-4H3.
What are the key properties of 3-[(3-ethenylphenyl)methoxy]propyl-diethoxy-methylsilane?
3-[(3-ethenylphenyl)methoxy]propyl-diethoxy-methylsilane has a molecular weight of 308.49 g/mol, XLogP of 4.38, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethenylphenyl)methoxy]propyl-diethoxy-methylsilane is sourced from PubChem (CID 139617910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).