7-[dimethyl(octadecyl)silyl]heptanamide

C27H57NOSi — CID 175975637

IUPAC7-[dimethyl(octadecyl)silyl]heptanamide
SMILESCCCCCCCCCCCCCCCCCC[Si](C)(C)CCCCCCC(N)=O
InChIInChI=1S/C27H57NOSi/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-25-30(2,3)26-23-20-18-21-24-27(28)29/h4-26H2,1-3H3,(H2,28,29)
InChIKeyYSTJVJPDBYZVQS-UHFFFAOYSA-N
MW439.85 g/mol
LogP9.39
Rot. Bonds24

About 7-[dimethyl(octadecyl)silyl]heptanamide

7-[dimethyl(octadecyl)silyl]heptanamide (PubChem CID 175975637) has the molecular formula C27H57NOSi and a molecular weight of 439.85 g/mol. Its IUPAC name is 7-[dimethyl(octadecyl)silyl]heptanamide.

Molecular Properties

Compound Name7-[dimethyl(octadecyl)silyl]heptanamide
PubChem CID175975637
Molecular FormulaC27H57NOSi
Molecular Weight439.85 g/mol
Exact Mass439.42
IUPAC Name7-[dimethyl(octadecyl)silyl]heptanamide
SMILESCCCCCCCCCCCCCCCCCC[Si](C)(C)CCCCCCC(N)=O
InChIInChI=1S/C27H57NOSi/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-25-30(2,3)26-23-20-18-21-24-27(28)29/h4-26H2,1-3H3,(H2,28,29)
InChIKeyYSTJVJPDBYZVQS-UHFFFAOYSA-N
XLogP9.39
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds24
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.85
LogP ≤ 59.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tetradecanamide
CID 175692014
nonacosanamide
CID 21105912
tetrapentacontanamide
CID 139682680
octadecanamide;hydrochloride
CID 87891779
octadecanamide;zinc
CID 87169213
butane;octanamide
CID 87511414
ethanol;tridecanamide
CID 174935457
CID 87899207
CID 87899207
ethane-1,2-diamine;bis(octadecanamide)
CID 22256983
dodecanamide;N-methylmethanamine
CID 159337435
acetamide;decanamide;dihydrochloride
CID 141131942
potassium;hexanamide;hydride
CID 173117462

Frequently Asked Questions

What is the IUPAC name of 7-[dimethyl(octadecyl)silyl]heptanamide?
The IUPAC name of 7-[dimethyl(octadecyl)silyl]heptanamide (CID 175975637) is 7-[dimethyl(octadecyl)silyl]heptanamide.
What is the SMILES notation for 7-[dimethyl(octadecyl)silyl]heptanamide?
The canonical SMILES for 7-[dimethyl(octadecyl)silyl]heptanamide is CCCCCCCCCCCCCCCCCC[Si](C)(C)CCCCCCC(N)=O.
What is the InChIKey of 7-[dimethyl(octadecyl)silyl]heptanamide?
The InChIKey is YSTJVJPDBYZVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H57NOSi/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-25-30(2,3)26-23-20-18-21-24-27(28)29/h4-26H2,1-3H3,(H2,28,29).
What are the key properties of 7-[dimethyl(octadecyl)silyl]heptanamide?
7-[dimethyl(octadecyl)silyl]heptanamide has a molecular weight of 439.85 g/mol, XLogP of 9.39, 24 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[dimethyl(octadecyl)silyl]heptanamide is sourced from PubChem (CID 175975637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).