[(8E)-cyclohexadec-8-en-1-yl] N-(3-triethoxysilylpropyl)carbamate

C26H51NO5Si — CID 21459608

IUPAC[(8E)-cyclohexadec-8-en-1-yl] N-(3-triethoxysilylpropyl)carbamate
SMILESCCO[Si](CCCNC(=O)OC1CCCCCC/C=C/CCCCCCC1)(OCC)OCC
InChIInChI=1S/C26H51NO5Si/c1-4-29-33(30-5-2,31-6-3)24-20-23-27-26(28)32-25-21-18-16-14-12-10-8-7-9-11-13-15-17-19-22-25/h7-8,25H,4-6,9-24H2,1-3H3,(H,27,28)/b8-7+
InChIKeyHCHIPJHLRJIZHH-BQYQJAHWSA-N
MW485.78 g/mol
LogP7.16
Rot. Bonds11

About [(8E)-cyclohexadec-8-en-1-yl] N-(3-triethoxysilylpropyl)carbamate

[(8E)-cyclohexadec-8-en-1-yl] N-(3-triethoxysilylpropyl)carbamate (PubChem CID 21459608) has the molecular formula C26H51NO5Si and a molecular weight of 485.78 g/mol. Its IUPAC name is [(8E)-cyclohexadec-8-en-1-yl] N-(3-triethoxysilylpropyl)carbamate.

Molecular Properties

Compound Name[(8E)-cyclohexadec-8-en-1-yl] N-(3-triethoxysilylpropyl)carbamate
PubChem CID21459608
Molecular FormulaC26H51NO5Si
Molecular Weight485.78 g/mol
Exact Mass485.35
IUPAC Name[(8E)-cyclohexadec-8-en-1-yl] N-(3-triethoxysilylpropyl)carbamate
SMILESCCO[Si](CCCNC(=O)OC1CCCCCC/C=C/CCCCCCC1)(OCC)OCC
InChIInChI=1S/C26H51NO5Si/c1-4-29-33(30-5-2,31-6-3)24-20-23-27-26(28)32-25-21-18-16-14-12-10-8-7-9-11-13-15-17-19-22-25/h7-8,25H,4-6,9-24H2,1-3H3,(H,27,28)/b8-7+
InChIKeyHCHIPJHLRJIZHH-BQYQJAHWSA-N
XLogP7.16
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.78
LogP ≤ 57.16
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(8E)-cyclohexadec-8-en-1-yl] N-(3-triethoxysilylpropyl)carbamate?
The IUPAC name of [(8E)-cyclohexadec-8-en-1-yl] N-(3-triethoxysilylpropyl)carbamate (CID 21459608) is [(8E)-cyclohexadec-8-en-1-yl] N-(3-triethoxysilylpropyl)carbamate.
What is the SMILES notation for [(8E)-cyclohexadec-8-en-1-yl] N-(3-triethoxysilylpropyl)carbamate?
The canonical SMILES for [(8E)-cyclohexadec-8-en-1-yl] N-(3-triethoxysilylpropyl)carbamate is CCO[Si](CCCNC(=O)OC1CCCCCC/C=C/CCCCCCC1)(OCC)OCC.
What is the InChIKey of [(8E)-cyclohexadec-8-en-1-yl] N-(3-triethoxysilylpropyl)carbamate?
The InChIKey is HCHIPJHLRJIZHH-BQYQJAHWSA-N. The full InChI is InChI=1S/C26H51NO5Si/c1-4-29-33(30-5-2,31-6-3)24-20-23-27-26(28)32-25-21-18-16-14-12-10-8-7-9-11-13-15-17-19-22-25/h7-8,25H,4-6,9-24H2,1-3H3,(H,27,28)/b8-7+.
What are the key properties of [(8E)-cyclohexadec-8-en-1-yl] N-(3-triethoxysilylpropyl)carbamate?
[(8E)-cyclohexadec-8-en-1-yl] N-(3-triethoxysilylpropyl)carbamate has a molecular weight of 485.78 g/mol, XLogP of 7.16, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(8E)-cyclohexadec-8-en-1-yl] N-(3-triethoxysilylpropyl)carbamate is sourced from PubChem (CID 21459608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).