dibutoxy-butyl-(3-chlorophenyl)silane

C18H31ClO2Si — CID 159988297

IUPACdibutoxy-butyl-(3-chlorophenyl)silane
SMILESCCCCO[Si](CCCC)(OCCCC)c1cccc(Cl)c1
InChIInChI=1S/C18H31ClO2Si/c1-4-7-13-20-22(15-9-6-3,21-14-8-5-2)18-12-10-11-17(19)16-18/h10-12,16H,4-9,13-15H2,1-3H3
InChIKeyOGPPXOFPXMCZNF-UHFFFAOYSA-N
MW342.98 g/mol
LogP5.42
Rot. Bonds12

About dibutoxy-butyl-(3-chlorophenyl)silane

dibutoxy-butyl-(3-chlorophenyl)silane (PubChem CID 159988297) has the molecular formula C18H31ClO2Si and a molecular weight of 342.98 g/mol. Its IUPAC name is dibutoxy-butyl-(3-chlorophenyl)silane.

Molecular Properties

Compound Namedibutoxy-butyl-(3-chlorophenyl)silane
PubChem CID159988297
Molecular FormulaC18H31ClO2Si
Molecular Weight342.98 g/mol
Exact Mass342.18
IUPAC Namedibutoxy-butyl-(3-chlorophenyl)silane
SMILESCCCCO[Si](CCCC)(OCCCC)c1cccc(Cl)c1
InChIInChI=1S/C18H31ClO2Si/c1-4-7-13-20-22(15-9-6-3,21-14-8-5-2)18-12-10-11-17(19)16-18/h10-12,16H,4-9,13-15H2,1-3H3
InChIKeyOGPPXOFPXMCZNF-UHFFFAOYSA-N
XLogP5.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.98
LogP ≤ 55.42
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'}

Analyze dibutoxy-butyl-(3-chlorophenyl)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

dibutoxy-[4-[dibutoxy(propyl)silyl]phenyl]-propylsilane
CID 66773461
bis(3-chlorophenyl)-didodecylsilane
CID 3247729
butoxy-(3-chlorophenoxy)-dimethylsilane
CID 91730116
dibutoxy-[3-(oxiran-2-ylmethoxy)propyl]-phenylsilane
CID 139765356
3-[dibutoxy(phenyl)silyl]propyl 2-methylprop-2-enoate
CID 19012652
butyl-dimethoxy-phenylsilane
CID 66773516
butane;1,3-dichlorobenzene
CID 174455068
3-[dibutoxy(phenyl)silyl]propyl but-2-enoate
CID 67842940
(3-chlorophenyl)-tris(trimethylsilyloxy)silane
CID 139696878
trichloro-[4-[dichloro(hexadecoxy)silyl]phenyl]silane
CID 86092710
butyl-chloro-phenyl-propoxysilane
CID 140744872
butoxy-[butoxy(diphenyl)silyl]oxy-diphenylsilane
CID 68750279

Frequently Asked Questions

What is the IUPAC name of dibutoxy-butyl-(3-chlorophenyl)silane?
The IUPAC name of dibutoxy-butyl-(3-chlorophenyl)silane (CID 159988297) is dibutoxy-butyl-(3-chlorophenyl)silane.
What is the SMILES notation for dibutoxy-butyl-(3-chlorophenyl)silane?
The canonical SMILES for dibutoxy-butyl-(3-chlorophenyl)silane is CCCCO[Si](CCCC)(OCCCC)c1cccc(Cl)c1.
What is the InChIKey of dibutoxy-butyl-(3-chlorophenyl)silane?
The InChIKey is OGPPXOFPXMCZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31ClO2Si/c1-4-7-13-20-22(15-9-6-3,21-14-8-5-2)18-12-10-11-17(19)16-18/h10-12,16H,4-9,13-15H2,1-3H3.
What are the key properties of dibutoxy-butyl-(3-chlorophenyl)silane?
dibutoxy-butyl-(3-chlorophenyl)silane has a molecular weight of 342.98 g/mol, XLogP of 5.42, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dibutoxy-butyl-(3-chlorophenyl)silane is sourced from PubChem (CID 159988297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).