butoxy-diethyl-[(3-phenoxyphenyl)methoxy]silane

C21H30O3Si — CID 91738973

IUPACbutoxy-diethyl-[(3-phenoxyphenyl)methoxy]silane
SMILESCCCCO[Si](CC)(CC)OCc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C21H30O3Si/c1-4-7-16-22-25(5-2,6-3)23-18-19-12-11-15-21(17-19)24-20-13-9-8-10-14-20/h8-15,17H,4-7,16,18H2,1-3H3
InChIKeyCUDDQDIPBOAYQQ-UHFFFAOYSA-N
MW358.55 g/mol
LogP6.29
Rot. Bonds11

About butoxy-diethyl-[(3-phenoxyphenyl)methoxy]silane

butoxy-diethyl-[(3-phenoxyphenyl)methoxy]silane (PubChem CID 91738973) has the molecular formula C21H30O3Si and a molecular weight of 358.55 g/mol. Its IUPAC name is butoxy-diethyl-[(3-phenoxyphenyl)methoxy]silane.

Molecular Properties

Compound Namebutoxy-diethyl-[(3-phenoxyphenyl)methoxy]silane
PubChem CID91738973
Molecular FormulaC21H30O3Si
Molecular Weight358.55 g/mol
Exact Mass358.20
IUPAC Namebutoxy-diethyl-[(3-phenoxyphenyl)methoxy]silane
SMILESCCCCO[Si](CC)(CC)OCc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C21H30O3Si/c1-4-7-16-22-25(5-2,6-3)23-18-19-12-11-15-21(17-19)24-20-13-9-8-10-14-20/h8-15,17H,4-7,16,18H2,1-3H3
InChIKeyCUDDQDIPBOAYQQ-UHFFFAOYSA-N
XLogP6.29
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.55
LogP ≤ 56.29
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 butoxy-diethyl-[(3-phenoxyphenyl)methoxy]silane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of butoxy-diethyl-[(3-phenoxyphenyl)methoxy]silane?
The IUPAC name of butoxy-diethyl-[(3-phenoxyphenyl)methoxy]silane (CID 91738973) is butoxy-diethyl-[(3-phenoxyphenyl)methoxy]silane.
What is the SMILES notation for butoxy-diethyl-[(3-phenoxyphenyl)methoxy]silane?
The canonical SMILES for butoxy-diethyl-[(3-phenoxyphenyl)methoxy]silane is CCCCO[Si](CC)(CC)OCc1cccc(Oc2ccccc2)c1.
What is the InChIKey of butoxy-diethyl-[(3-phenoxyphenyl)methoxy]silane?
The InChIKey is CUDDQDIPBOAYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30O3Si/c1-4-7-16-22-25(5-2,6-3)23-18-19-12-11-15-21(17-19)24-20-13-9-8-10-14-20/h8-15,17H,4-7,16,18H2,1-3H3.
What are the key properties of butoxy-diethyl-[(3-phenoxyphenyl)methoxy]silane?
butoxy-diethyl-[(3-phenoxyphenyl)methoxy]silane has a molecular weight of 358.55 g/mol, XLogP of 6.29, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy-diethyl-[(3-phenoxyphenyl)methoxy]silane is sourced from PubChem (CID 91738973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).