triethyl-[4-(2-nitrosohexadecan-4-yl)furan-2-yl]silane

C26H49NO2Si — CID 54439251

IUPACtriethyl-[4-(2-nitrosohexadecan-4-yl)furan-2-yl]silane
SMILESCCCCCCCCCCCCC(CC(C)N=O)c1coc([Si](CC)(CC)CC)c1
InChIInChI=1S/C26H49NO2Si/c1-6-10-11-12-13-14-15-16-17-18-19-24(20-23(5)27-28)25-21-26(29-22-25)30(7-2,8-3)9-4/h21-24H,6-20H2,1-5H3
InChIKeyWMXOJPFIDHJRCR-UHFFFAOYSA-N
MW435.77 g/mol
LogP8.93
Rot. Bonds19

About triethyl-[4-(2-nitrosohexadecan-4-yl)furan-2-yl]silane

triethyl-[4-(2-nitrosohexadecan-4-yl)furan-2-yl]silane (PubChem CID 54439251) has the molecular formula C26H49NO2Si and a molecular weight of 435.77 g/mol. Its IUPAC name is triethyl-[4-(2-nitrosohexadecan-4-yl)furan-2-yl]silane.

Molecular Properties

Compound Nametriethyl-[4-(2-nitrosohexadecan-4-yl)furan-2-yl]silane
PubChem CID54439251
Molecular FormulaC26H49NO2Si
Molecular Weight435.77 g/mol
Exact Mass435.35
IUPAC Nametriethyl-[4-(2-nitrosohexadecan-4-yl)furan-2-yl]silane
SMILESCCCCCCCCCCCCC(CC(C)N=O)c1coc([Si](CC)(CC)CC)c1
InChIInChI=1S/C26H49NO2Si/c1-6-10-11-12-13-14-15-16-17-18-19-24(20-23(5)27-28)25-21-26(29-22-25)30(7-2,8-3)9-4/h21-24H,6-20H2,1-5H3
InChIKeyWMXOJPFIDHJRCR-UHFFFAOYSA-N
XLogP8.93
TPSA42.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.77
LogP ≤ 58.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze triethyl-[4-(2-nitrosohexadecan-4-yl)furan-2-yl]silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[dodecan-2-ylsulfonyl-[1-(5-triethylsilylfuran-3-yl)ethyl]amino] acetate
CID 57000508
[2-hydroxy-3-oxo-1-(5-triethylsilylfuran-3-yl)pentadecyl] acetate
CID 57272898
[2-hydroxy-3-oxo-1-(5-triethylsilylfuran-3-yl)tetradecyl] acetate
CID 57127967
1-(5-trimethylsilylfuran-3-yl)undecan-1-ol
CID 19885896
N-[3-oxo-2-(5-triethylsilylfuran-3-yl)tetradecyl]undecanamide
CID 19019904
1-(5-trimethylsilylfuran-3-yl)hexan-1-ol
CID 70413121
1-hydroxy-N-[2-(5-triethylsilylfuran-3-yl)ethyl]dodecane-2-sulfonamide
CID 19019858
[2-hydroxy-2-(5-triethylsilylfuran-3-yl)ethyl] acetate
CID 19019873
1-[5-[tert-butyl(dimethyl)silyl]furan-3-yl]tridecyl acetate
CID 15723411
1-methyl-3-[1-(5-trimethylsilylfuran-3-yl)tridecyl]urea
CID 15037084
[4-(dodecylsulfanylmethyl)furan-2-yl]-triethylsilane
CID 15037123
1-(5-trimethylsilylfuran-3-yl)tridecyl dodecanoate
CID 15037068

Frequently Asked Questions

What is the IUPAC name of triethyl-[4-(2-nitrosohexadecan-4-yl)furan-2-yl]silane?
The IUPAC name of triethyl-[4-(2-nitrosohexadecan-4-yl)furan-2-yl]silane (CID 54439251) is triethyl-[4-(2-nitrosohexadecan-4-yl)furan-2-yl]silane.
What is the SMILES notation for triethyl-[4-(2-nitrosohexadecan-4-yl)furan-2-yl]silane?
The canonical SMILES for triethyl-[4-(2-nitrosohexadecan-4-yl)furan-2-yl]silane is CCCCCCCCCCCCC(CC(C)N=O)c1coc([Si](CC)(CC)CC)c1.
What is the InChIKey of triethyl-[4-(2-nitrosohexadecan-4-yl)furan-2-yl]silane?
The InChIKey is WMXOJPFIDHJRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H49NO2Si/c1-6-10-11-12-13-14-15-16-17-18-19-24(20-23(5)27-28)25-21-26(29-22-25)30(7-2,8-3)9-4/h21-24H,6-20H2,1-5H3.
What are the key properties of triethyl-[4-(2-nitrosohexadecan-4-yl)furan-2-yl]silane?
triethyl-[4-(2-nitrosohexadecan-4-yl)furan-2-yl]silane has a molecular weight of 435.77 g/mol, XLogP of 8.93, 19 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[4-(2-nitrosohexadecan-4-yl)furan-2-yl]silane is sourced from PubChem (CID 54439251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).