diethoxy(3-phenylpropyl)silane

C13H22O2Si — CID 123960403

IUPACdiethoxy(3-phenylpropyl)silane
SMILESCCO[SiH](CCCc1ccccc1)OCC
InChIInChI=1S/C13H22O2Si/c1-3-14-16(15-4-2)12-8-11-13-9-6-5-7-10-13/h5-7,9-10,16H,3-4,8,11-12H2,1-2H3
InChIKeyHVVJVVQKDAHSJF-UHFFFAOYSA-N
MW238.40 g/mol
LogP2.91
Rot. Bonds8

About diethoxy(3-phenylpropyl)silane

diethoxy(3-phenylpropyl)silane (PubChem CID 123960403) has the molecular formula C13H22O2Si and a molecular weight of 238.40 g/mol. Its IUPAC name is diethoxy(3-phenylpropyl)silane.

Molecular Properties

Compound Namediethoxy(3-phenylpropyl)silane
PubChem CID123960403
Molecular FormulaC13H22O2Si
Molecular Weight238.40 g/mol
Exact Mass238.14
IUPAC Namediethoxy(3-phenylpropyl)silane
SMILESCCO[SiH](CCCc1ccccc1)OCC
InChIInChI=1S/C13H22O2Si/c1-3-14-16(15-4-2)12-8-11-13-9-6-5-7-10-13/h5-7,9-10,16H,3-4,8,11-12H2,1-2H3
InChIKeyHVVJVVQKDAHSJF-UHFFFAOYSA-N
XLogP2.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

dibutoxy(4-phenylbutyl)silane
CID 123309068
N-benzyl-4-diethoxysilylbutan-1-amine
CID 173337642
ethoxy-ethyl-(2-phenylethoxy)silane
CID 154001290
methyl-(3-phenylpropyl)-silyloxysilane
CID 173064055
6-ethoxyhexylbenzene
CID 54300935
4-(2-diethoxysilylethyl)aniline
CID 150437018
3-phenylpropan-1-amine;propane
CID 70273467
3-diethoxysilylpropyl benzoate
CID 123660866
4-phenylbutylbenzene
CID 141301927
benzyl(diethoxy)silane;diethoxy-[4-(oxiran-2-ylmethoxy)butyl]silane
CID 173125357
1,4-bis(3-phenylpropyl)benzene
CID 59467322
hafnium;4-phenylbutylbenzene
CID 175889972

Frequently Asked Questions

What is the IUPAC name of diethoxy(3-phenylpropyl)silane?
The IUPAC name of diethoxy(3-phenylpropyl)silane (CID 123960403) is diethoxy(3-phenylpropyl)silane.
What is the SMILES notation for diethoxy(3-phenylpropyl)silane?
The canonical SMILES for diethoxy(3-phenylpropyl)silane is CCO[SiH](CCCc1ccccc1)OCC.
What is the InChIKey of diethoxy(3-phenylpropyl)silane?
The InChIKey is HVVJVVQKDAHSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2Si/c1-3-14-16(15-4-2)12-8-11-13-9-6-5-7-10-13/h5-7,9-10,16H,3-4,8,11-12H2,1-2H3.
What are the key properties of diethoxy(3-phenylpropyl)silane?
diethoxy(3-phenylpropyl)silane has a molecular weight of 238.40 g/mol, XLogP of 2.91, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy(3-phenylpropyl)silane is sourced from PubChem (CID 123960403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).