2-(3-trimethoxysilylpropyl)octadec-9-enamide

C24H49NO4Si — CID 173031259

IUPAC2-(3-trimethoxysilylpropyl)octadec-9-enamide
SMILESCCCCCCCCC=CCCCCCCC(CCC[Si](OC)(OC)OC)C(N)=O
InChIInChI=1S/C24H49NO4Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(24(25)26)21-19-22-30(27-2,28-3)29-4/h12-13,23H,5-11,14-22H2,1-4H3,(H2,25,26)
InChIKeyYQKYFJNGNAOQPO-UHFFFAOYSA-N
MW443.75 g/mol
LogP6.39
Rot. Bonds22

About 2-(3-trimethoxysilylpropyl)octadec-9-enamide

2-(3-trimethoxysilylpropyl)octadec-9-enamide (PubChem CID 173031259) has the molecular formula C24H49NO4Si and a molecular weight of 443.75 g/mol. Its IUPAC name is 2-(3-trimethoxysilylpropyl)octadec-9-enamide.

Molecular Properties

Compound Name2-(3-trimethoxysilylpropyl)octadec-9-enamide
PubChem CID173031259
Molecular FormulaC24H49NO4Si
Molecular Weight443.75 g/mol
Exact Mass443.34
IUPAC Name2-(3-trimethoxysilylpropyl)octadec-9-enamide
SMILESCCCCCCCCC=CCCCCCCC(CCC[Si](OC)(OC)OC)C(N)=O
InChIInChI=1S/C24H49NO4Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(24(25)26)21-19-22-30(27-2,28-3)29-4/h12-13,23H,5-11,14-22H2,1-4H3,(H2,25,26)
InChIKeyYQKYFJNGNAOQPO-UHFFFAOYSA-N
XLogP6.39
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds22
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.75
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Related Compounds

2-hexadecylicos-11-enamide
CID 173011844
1-trimethoxysilylhenicos-12-en-4-amine
CID 91011586
2-[(Z)-octadec-9-enyl]hexanediamide
CID 174792475
2-ethyldocos-13-enamide
CID 173006662
2-ethyloctadec-9-enamide
CID 160810733
2-triacont-19-enylbutanediamide
CID 155758594
(Z)-N-(3-carbamoyltridecyl)docos-13-enamide
CID 175080383
2-propyltetracosa-12,14,16,18-tetraenamide
CID 140665125
2-propylheptacosa-17,19,21-trienamide
CID 140559798
2-propylhexacosa-16,18,20-trienamide
CID 173137662
2-hexyloctanamide
CID 87302701
2-octyldecanamide
CID 19104479

Frequently Asked Questions

What is the IUPAC name of 2-(3-trimethoxysilylpropyl)octadec-9-enamide?
The IUPAC name of 2-(3-trimethoxysilylpropyl)octadec-9-enamide (CID 173031259) is 2-(3-trimethoxysilylpropyl)octadec-9-enamide.
What is the SMILES notation for 2-(3-trimethoxysilylpropyl)octadec-9-enamide?
The canonical SMILES for 2-(3-trimethoxysilylpropyl)octadec-9-enamide is CCCCCCCCC=CCCCCCCC(CCC[Si](OC)(OC)OC)C(N)=O.
What is the InChIKey of 2-(3-trimethoxysilylpropyl)octadec-9-enamide?
The InChIKey is YQKYFJNGNAOQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H49NO4Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(24(25)26)21-19-22-30(27-2,28-3)29-4/h12-13,23H,5-11,14-22H2,1-4H3,(H2,25,26).
What are the key properties of 2-(3-trimethoxysilylpropyl)octadec-9-enamide?
2-(3-trimethoxysilylpropyl)octadec-9-enamide has a molecular weight of 443.75 g/mol, XLogP of 6.39, 22 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-trimethoxysilylpropyl)octadec-9-enamide is sourced from PubChem (CID 173031259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).