phenyl hypochlorite;1,1,2-triethoxy-2-ethylsilinane

C19H33ClO4Si — CID 174609072

IUPACphenyl hypochlorite;1,1,2-triethoxy-2-ethylsilinane
SMILESCCOC1(CC)CCCC[Si]1(OCC)OCC.ClOc1ccccc1
InChIInChI=1S/C13H28O3Si.C6H5ClO/c1-5-13(14-6-2)11-9-10-12-17(13,15-7-3)16-8-4;7-8-6-4-2-1-3-5-6/h5-12H2,1-4H3;1-5H
InChIKeyPMCDQCMSJMPTON-UHFFFAOYSA-N
MW389.01 g/mol
LogP5.63
Rot. Bonds8

About phenyl hypochlorite;1,1,2-triethoxy-2-ethylsilinane

phenyl hypochlorite;1,1,2-triethoxy-2-ethylsilinane (PubChem CID 174609072) has the molecular formula C19H33ClO4Si and a molecular weight of 389.01 g/mol. Its IUPAC name is phenyl hypochlorite;1,1,2-triethoxy-2-ethylsilinane.

Molecular Properties

Compound Namephenyl hypochlorite;1,1,2-triethoxy-2-ethylsilinane
PubChem CID174609072
Molecular FormulaC19H33ClO4Si
Molecular Weight389.01 g/mol
Exact Mass388.18
IUPAC Namephenyl hypochlorite;1,1,2-triethoxy-2-ethylsilinane
SMILESCCOC1(CC)CCCC[Si]1(OCC)OCC.ClOc1ccccc1
InChIInChI=1S/C13H28O3Si.C6H5ClO/c1-5-13(14-6-2)11-9-10-12-17(13,15-7-3)16-8-4;7-8-6-4-2-1-3-5-6/h5-12H2,1-4H3;1-5H
InChIKeyPMCDQCMSJMPTON-UHFFFAOYSA-N
XLogP5.63
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.01
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze phenyl hypochlorite;1,1,2-triethoxy-2-ethylsilinane 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

toluene;1,1,2-triethoxy-2-ethylsilinane
CID 174816258
phenanthrene;1,1,2-triethoxy-2-ethylsilinane
CID 174932363
4-chlorophenol;1,1,2-triethoxy-2-ethylsilinane
CID 174609070
propanoic acid;1,1,2-triethoxy-2-ethylsilinane
CID 174783066
4-methylpent-1-ene;1,1,2-triethoxy-2-ethylsilinane
CID 174706087
N-methylprop-2-enamide;1,1,2-triethoxy-2-ethylsilinane
CID 174864706
(1,1,2-triethoxysilinan-2-yl)methyl acetate
CID 174525349
5-(1,1,2-triethoxysilinan-2-yl)pentane-1,3-diamine
CID 174522138
1,1,2,2-tetraethoxysilinane
CID 174248265
2-ethyl-3-[4-(1,1,2-triethoxysilinan-2-yl)butyl]oxirane
CID 174976602
2-decyl-1,1,2-triethoxysilinane;1-fluoro-1,2,3,4-tetrahydrochrysene
CID 174391198
[2-hydroxy-3-(propylamino)propyl] prop-2-enoate;1,1,2-triethoxy-2-ethylsilinane
CID 174964240

Frequently Asked Questions

What is the IUPAC name of phenyl hypochlorite;1,1,2-triethoxy-2-ethylsilinane?
The IUPAC name of phenyl hypochlorite;1,1,2-triethoxy-2-ethylsilinane (CID 174609072) is phenyl hypochlorite;1,1,2-triethoxy-2-ethylsilinane.
What is the SMILES notation for phenyl hypochlorite;1,1,2-triethoxy-2-ethylsilinane?
The canonical SMILES for phenyl hypochlorite;1,1,2-triethoxy-2-ethylsilinane is CCOC1(CC)CCCC[Si]1(OCC)OCC.ClOc1ccccc1.
What is the InChIKey of phenyl hypochlorite;1,1,2-triethoxy-2-ethylsilinane?
The InChIKey is PMCDQCMSJMPTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O3Si.C6H5ClO/c1-5-13(14-6-2)11-9-10-12-17(13,15-7-3)16-8-4;7-8-6-4-2-1-3-5-6/h5-12H2,1-4H3;1-5H.
What are the key properties of phenyl hypochlorite;1,1,2-triethoxy-2-ethylsilinane?
phenyl hypochlorite;1,1,2-triethoxy-2-ethylsilinane has a molecular weight of 389.01 g/mol, XLogP of 5.63, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl hypochlorite;1,1,2-triethoxy-2-ethylsilinane is sourced from PubChem (CID 174609072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).