CID 16665748

C4H6NOSi — CID 16665748

IUPAC—
SMILESO=C=NCCC[Si]
InChIInChI=1S/C4H6NOSi/c6-4-5-2-1-3-7/h1-3H2
InChIKeySSCOTPCAIDBMDM-UHFFFAOYSA-N
MW112.18 g/mol
LogP0.30
Rot. Bonds3

About CID 16665748

CID 16665748 (PubChem CID 16665748) has the molecular formula C4H6NOSi and a molecular weight of 112.18 g/mol.

Molecular Properties

Compound NameCID 16665748
PubChem CID16665748
Molecular FormulaC4H6NOSi
Molecular Weight112.18 g/mol
Exact Mass112.02
IUPAC Name—
SMILESO=C=NCCC[Si]
InChIInChI=1S/C4H6NOSi/c6-4-5-2-1-3-7/h1-3H2
InChIKeySSCOTPCAIDBMDM-UHFFFAOYSA-N
XLogP0.30
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

Analyze CID 16665748 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

1,10-diisocyanatodecane;1,12-diisocyanatododecane
CID 126503786
1,15-diisocyanatopentadecane
CID 14454785
1,6-diisocyanatohexane;1,5-diisocyanatopentane
CID 23110384
1,3-diisocyanatopropane;isocyanic acid
CID 174386092
3-isocyanatopropylsilane
CID 123203896
1-isocyanato-4-methylpentane
CID 12705326
1,8-diisocyanatooct-4-ene
CID 123748780
1,2-diisocyanatoethane;hydrazine
CID 155127889
1-isocyanato-23-methyltetracosane
CID 140840712
1-fluoro-12-isocyanatododecane
CID 171060670
1-fluoro-6-isocyanatohexane
CID 83854345
1-chloro-7-isocyanatoheptane
CID 19019022

Frequently Asked Questions

What is the IUPAC name of CID 16665748?
The IUPAC name of CID 16665748 (CID 16665748) is not available.
What is the SMILES notation for CID 16665748?
The canonical SMILES for CID 16665748 is O=C=NCCC[Si].
What is the InChIKey of CID 16665748?
The InChIKey is SSCOTPCAIDBMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6NOSi/c6-4-5-2-1-3-7/h1-3H2.
What are the key properties of CID 16665748?
CID 16665748 has a molecular weight of 112.18 g/mol, XLogP of 0.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 16665748 is sourced from PubChem (CID 16665748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).