[(E)-3-phenylprop-2-enyl] N-(3-triethoxysilylpropyl)carbamate

C19H31NO5Si — CID 10177895

IUPAC[(E)-3-phenylprop-2-enyl] N-(3-triethoxysilylpropyl)carbamate
SMILESCCO[Si](CCCNC(=O)OC/C=C/c1ccccc1)(OCC)OCC
InChIInChI=1S/C19H31NO5Si/c1-4-23-26(24-5-2,25-6-3)17-11-15-20-19(21)22-16-10-14-18-12-8-7-9-13-18/h7-10,12-14H,4-6,11,15-17H2,1-3H3,(H,20,21)/b14-10+
InChIKeyVDOVNBNDPJQARR-GXDHUFHOSA-N
MW381.55 g/mol
LogP3.86
Rot. Bonds13

About [(E)-3-phenylprop-2-enyl] N-(3-triethoxysilylpropyl)carbamate

[(E)-3-phenylprop-2-enyl] N-(3-triethoxysilylpropyl)carbamate (PubChem CID 10177895) has the molecular formula C19H31NO5Si and a molecular weight of 381.55 g/mol. Its IUPAC name is [(E)-3-phenylprop-2-enyl] N-(3-triethoxysilylpropyl)carbamate.

Molecular Properties

Compound Name[(E)-3-phenylprop-2-enyl] N-(3-triethoxysilylpropyl)carbamate
PubChem CID10177895
Molecular FormulaC19H31NO5Si
Molecular Weight381.55 g/mol
Exact Mass381.20
IUPAC Name[(E)-3-phenylprop-2-enyl] N-(3-triethoxysilylpropyl)carbamate
SMILESCCO[Si](CCCNC(=O)OC/C=C/c1ccccc1)(OCC)OCC
InChIInChI=1S/C19H31NO5Si/c1-4-23-26(24-5-2,25-6-3)17-11-15-20-19(21)22-16-10-14-18-12-8-7-9-13-18/h7-10,12-14H,4-6,11,15-17H2,1-3H3,(H,20,21)/b14-10+
InChIKeyVDOVNBNDPJQARR-GXDHUFHOSA-N
XLogP3.86
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.55
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-3-phenylprop-2-enyl] N-(3-triethoxysilylpropyl)carbamate?
The IUPAC name of [(E)-3-phenylprop-2-enyl] N-(3-triethoxysilylpropyl)carbamate (CID 10177895) is [(E)-3-phenylprop-2-enyl] N-(3-triethoxysilylpropyl)carbamate.
What is the SMILES notation for [(E)-3-phenylprop-2-enyl] N-(3-triethoxysilylpropyl)carbamate?
The canonical SMILES for [(E)-3-phenylprop-2-enyl] N-(3-triethoxysilylpropyl)carbamate is CCO[Si](CCCNC(=O)OC/C=C/c1ccccc1)(OCC)OCC.
What is the InChIKey of [(E)-3-phenylprop-2-enyl] N-(3-triethoxysilylpropyl)carbamate?
The InChIKey is VDOVNBNDPJQARR-GXDHUFHOSA-N. The full InChI is InChI=1S/C19H31NO5Si/c1-4-23-26(24-5-2,25-6-3)17-11-15-20-19(21)22-16-10-14-18-12-8-7-9-13-18/h7-10,12-14H,4-6,11,15-17H2,1-3H3,(H,20,21)/b14-10+.
What are the key properties of [(E)-3-phenylprop-2-enyl] N-(3-triethoxysilylpropyl)carbamate?
[(E)-3-phenylprop-2-enyl] N-(3-triethoxysilylpropyl)carbamate has a molecular weight of 381.55 g/mol, XLogP of 3.86, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-phenylprop-2-enyl] N-(3-triethoxysilylpropyl)carbamate is sourced from PubChem (CID 10177895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).