2-methylperoxyethyl(propyl)silane;octadecanamide

C24H53NO3Si — CID 175093448

IUPAC2-methylperoxyethyl(propyl)silane;octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(N)=O.CCC[SiH2]CCOOC
InChIInChI=1S/C18H37NO.C6H16O2Si/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-3-5-9-6-4-8-7-2/h2-17H2,1H3,(H2,19,20);3-6,9H2,1-2H3
InChIKeyAZJPDWRLDFFKAE-UHFFFAOYSA-N
MW431.78 g/mol
LogP6.71
Rot. Bonds22

About 2-methylperoxyethyl(propyl)silane;octadecanamide

2-methylperoxyethyl(propyl)silane;octadecanamide (PubChem CID 175093448) has the molecular formula C24H53NO3Si and a molecular weight of 431.78 g/mol. Its IUPAC name is 2-methylperoxyethyl(propyl)silane;octadecanamide.

Molecular Properties

Compound Name2-methylperoxyethyl(propyl)silane;octadecanamide
PubChem CID175093448
Molecular FormulaC24H53NO3Si
Molecular Weight431.78 g/mol
Exact Mass431.38
IUPAC Name2-methylperoxyethyl(propyl)silane;octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(N)=O.CCC[SiH2]CCOOC
InChIInChI=1S/C18H37NO.C6H16O2Si/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-3-5-9-6-4-8-7-2/h2-17H2,1H3,(H2,19,20);3-6,9H2,1-2H3
InChIKeyAZJPDWRLDFFKAE-UHFFFAOYSA-N
XLogP6.71
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds22
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.78
LogP ≤ 56.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

octadecanamide;hydrochloride
CID 87891779
nonacosanamide
CID 21105912
tetradecanamide
CID 175692014
tetrapentacontanamide
CID 139682680
ethane-1,2-diamine;bis(octadecanamide)
CID 22256983
acetamide;decanamide;dihydrochloride
CID 141131942
butane;octanamide
CID 87511414
octadecanamide;zinc
CID 87169213
dodecanamide;dodecanoic acid
CID 23079031
dodecanamide;hexanoic acid
CID 19807771
ethanol;tridecanamide
CID 174935457
CID 87899207
CID 87899207

Frequently Asked Questions

What is the IUPAC name of 2-methylperoxyethyl(propyl)silane;octadecanamide?
The IUPAC name of 2-methylperoxyethyl(propyl)silane;octadecanamide (CID 175093448) is 2-methylperoxyethyl(propyl)silane;octadecanamide.
What is the SMILES notation for 2-methylperoxyethyl(propyl)silane;octadecanamide?
The canonical SMILES for 2-methylperoxyethyl(propyl)silane;octadecanamide is CCCCCCCCCCCCCCCCCC(N)=O.CCC[SiH2]CCOOC.
What is the InChIKey of 2-methylperoxyethyl(propyl)silane;octadecanamide?
The InChIKey is AZJPDWRLDFFKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO.C6H16O2Si/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-3-5-9-6-4-8-7-2/h2-17H2,1H3,(H2,19,20);3-6,9H2,1-2H3.
What are the key properties of 2-methylperoxyethyl(propyl)silane;octadecanamide?
2-methylperoxyethyl(propyl)silane;octadecanamide has a molecular weight of 431.78 g/mol, XLogP of 6.71, 22 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylperoxyethyl(propyl)silane;octadecanamide is sourced from PubChem (CID 175093448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).