dibutoxy-[2-(4-chlorophenyl)ethyl]silane

C16H27ClO2Si — CID 154408731

IUPACdibutoxy-[2-(4-chlorophenyl)ethyl]silane
SMILESCCCCO[SiH](CCc1ccc(Cl)cc1)OCCCC
InChIInChI=1S/C16H27ClO2Si/c1-3-5-12-18-20(19-13-6-4-2)14-11-15-7-9-16(17)10-8-15/h7-10,20H,3-6,11-14H2,1-2H3
InChIKeyIWQGWZINTCRCOG-UHFFFAOYSA-N
MW314.93 g/mol
LogP4.74
Rot. Bonds11

About dibutoxy-[2-(4-chlorophenyl)ethyl]silane

dibutoxy-[2-(4-chlorophenyl)ethyl]silane (PubChem CID 154408731) has the molecular formula C16H27ClO2Si and a molecular weight of 314.93 g/mol. Its IUPAC name is dibutoxy-[2-(4-chlorophenyl)ethyl]silane.

Molecular Properties

Compound Namedibutoxy-[2-(4-chlorophenyl)ethyl]silane
PubChem CID154408731
Molecular FormulaC16H27ClO2Si
Molecular Weight314.93 g/mol
Exact Mass314.15
IUPAC Namedibutoxy-[2-(4-chlorophenyl)ethyl]silane
SMILESCCCCO[SiH](CCc1ccc(Cl)cc1)OCCCC
InChIInChI=1S/C16H27ClO2Si/c1-3-5-12-18-20(19-13-6-4-2)14-11-15-7-9-16(17)10-8-15/h7-10,20H,3-6,11-14H2,1-2H3
InChIKeyIWQGWZINTCRCOG-UHFFFAOYSA-N
XLogP4.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.93
LogP ≤ 54.74
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-[2-(4-chlorophenyl)ethyl]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-phenylbutyl)silane
CID 123309068
1-chloro-4-(7-hexoxyheptyl)benzene
CID 54103905
butyl 3-(4-chlorophenyl)propanoate
CID 24808099
1-butyl-4-(4-chlorophenyl)benzene
CID 71329795
3-(4-chlorophenyl)-N-(4-pentoxyphenyl)propanamide
CID 19220836
(4-propylphenyl) hypochlorite
CID 175330115
2-(4-butylphenoxy)-2-(4-chlorophenyl)ethanamine
CID 115492276
N-butyl-N-[3-(4-chlorophenyl)propyl]butan-1-amine
CID 151532022
2-[2-(4-butylphenyl)ethoxy]ethanamine
CID 65300871
4-(2-diethoxysilylethyl)aniline
CID 150437018
1-(2-butoxyethyl)-3-[2-(4-chlorophenyl)ethyl]-2-methylguanidine
CID 111196648
2-butoxy-1-(4-chlorophenyl)ethanone
CID 43801198

Frequently Asked Questions

What is the IUPAC name of dibutoxy-[2-(4-chlorophenyl)ethyl]silane?
The IUPAC name of dibutoxy-[2-(4-chlorophenyl)ethyl]silane (CID 154408731) is dibutoxy-[2-(4-chlorophenyl)ethyl]silane.
What is the SMILES notation for dibutoxy-[2-(4-chlorophenyl)ethyl]silane?
The canonical SMILES for dibutoxy-[2-(4-chlorophenyl)ethyl]silane is CCCCO[SiH](CCc1ccc(Cl)cc1)OCCCC.
What is the InChIKey of dibutoxy-[2-(4-chlorophenyl)ethyl]silane?
The InChIKey is IWQGWZINTCRCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27ClO2Si/c1-3-5-12-18-20(19-13-6-4-2)14-11-15-7-9-16(17)10-8-15/h7-10,20H,3-6,11-14H2,1-2H3.
What are the key properties of dibutoxy-[2-(4-chlorophenyl)ethyl]silane?
dibutoxy-[2-(4-chlorophenyl)ethyl]silane has a molecular weight of 314.93 g/mol, XLogP of 4.74, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dibutoxy-[2-(4-chlorophenyl)ethyl]silane is sourced from PubChem (CID 154408731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).