1-ethenyl-2-ethylbenzene;1-triphenoxysilylpropan-1-amine

C31H35NO3Si — CID 68584542

IUPAC1-ethenyl-2-ethylbenzene;1-triphenoxysilylpropan-1-amine
SMILESC=Cc1ccccc1CC.CCC(N)[Si](Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C21H23NO3Si.C10H12/c1-2-21(22)26(23-18-12-6-3-7-13-18,24-19-14-8-4-9-15-19)25-20-16-10-5-11-17-20;1-3-9-7-5-6-8-10(9)4-2/h3-17,21H,2,22H2,1H3;3,5-8H,1,4H2,2H3
InChIKeyAVCZWSAHWBFZFG-UHFFFAOYSA-N
MW497.71 g/mol
LogP7.33
Rot. Bonds10

About 1-ethenyl-2-ethylbenzene;1-triphenoxysilylpropan-1-amine

1-ethenyl-2-ethylbenzene;1-triphenoxysilylpropan-1-amine (PubChem CID 68584542) has the molecular formula C31H35NO3Si and a molecular weight of 497.71 g/mol. Its IUPAC name is 1-ethenyl-2-ethylbenzene;1-triphenoxysilylpropan-1-amine.

Molecular Properties

Compound Name1-ethenyl-2-ethylbenzene;1-triphenoxysilylpropan-1-amine
PubChem CID68584542
Molecular FormulaC31H35NO3Si
Molecular Weight497.71 g/mol
Exact Mass497.24
IUPAC Name1-ethenyl-2-ethylbenzene;1-triphenoxysilylpropan-1-amine
SMILESC=Cc1ccccc1CC.CCC(N)[Si](Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C21H23NO3Si.C10H12/c1-2-21(22)26(23-18-12-6-3-7-13-18,24-19-14-8-4-9-15-19)25-20-16-10-5-11-17-20;1-3-9-7-5-6-8-10(9)4-2/h3-17,21H,2,22H2,1H3;3,5-8H,1,4H2,2H3
InChIKeyAVCZWSAHWBFZFG-UHFFFAOYSA-N
XLogP7.33
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.71
LogP ≤ 57.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-2-ethylbenzene;1-triphenoxysilylpropan-1-amine?
The IUPAC name of 1-ethenyl-2-ethylbenzene;1-triphenoxysilylpropan-1-amine (CID 68584542) is 1-ethenyl-2-ethylbenzene;1-triphenoxysilylpropan-1-amine.
What is the SMILES notation for 1-ethenyl-2-ethylbenzene;1-triphenoxysilylpropan-1-amine?
The canonical SMILES for 1-ethenyl-2-ethylbenzene;1-triphenoxysilylpropan-1-amine is C=Cc1ccccc1CC.CCC(N)[Si](Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of 1-ethenyl-2-ethylbenzene;1-triphenoxysilylpropan-1-amine?
The InChIKey is AVCZWSAHWBFZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3Si.C10H12/c1-2-21(22)26(23-18-12-6-3-7-13-18,24-19-14-8-4-9-15-19)25-20-16-10-5-11-17-20;1-3-9-7-5-6-8-10(9)4-2/h3-17,21H,2,22H2,1H3;3,5-8H,1,4H2,2H3.
What are the key properties of 1-ethenyl-2-ethylbenzene;1-triphenoxysilylpropan-1-amine?
1-ethenyl-2-ethylbenzene;1-triphenoxysilylpropan-1-amine has a molecular weight of 497.71 g/mol, XLogP of 7.33, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2-ethylbenzene;1-triphenoxysilylpropan-1-amine is sourced from PubChem (CID 68584542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).