decan-2-yloxy-pentoxy-diphenylsilane

C27H42O2Si — CID 91740053

IUPACdecan-2-yloxy-pentoxy-diphenylsilane
SMILESCCCCCCCCC(C)O[Si](OCCCCC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H42O2Si/c1-4-6-8-9-10-13-19-25(3)29-30(28-24-18-7-5-2,26-20-14-11-15-21-26)27-22-16-12-17-23-27/h11-12,14-17,20-23,25H,4-10,13,18-19,24H2,1-3H3
InChIKeyWMIHVSGOUAUPSR-UHFFFAOYSA-N
MW426.72 g/mol
LogP6.61
Rot. Bonds16

About decan-2-yloxy-pentoxy-diphenylsilane

decan-2-yloxy-pentoxy-diphenylsilane (PubChem CID 91740053) has the molecular formula C27H42O2Si and a molecular weight of 426.72 g/mol. Its IUPAC name is decan-2-yloxy-pentoxy-diphenylsilane.

Molecular Properties

Compound Namedecan-2-yloxy-pentoxy-diphenylsilane
PubChem CID91740053
Molecular FormulaC27H42O2Si
Molecular Weight426.72 g/mol
Exact Mass426.30
IUPAC Namedecan-2-yloxy-pentoxy-diphenylsilane
SMILESCCCCCCCCC(C)O[Si](OCCCCC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H42O2Si/c1-4-6-8-9-10-13-19-25(3)29-30(28-24-18-7-5-2,26-20-14-11-15-21-26)27-22-16-12-17-23-27/h11-12,14-17,20-23,25H,4-10,13,18-19,24H2,1-3H3
InChIKeyWMIHVSGOUAUPSR-UHFFFAOYSA-N
XLogP6.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.72
LogP ≤ 56.61
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 decan-2-yloxy-pentoxy-diphenylsilane 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 decan-2-yloxy-pentoxy-diphenylsilane?
The IUPAC name of decan-2-yloxy-pentoxy-diphenylsilane (CID 91740053) is decan-2-yloxy-pentoxy-diphenylsilane.
What is the SMILES notation for decan-2-yloxy-pentoxy-diphenylsilane?
The canonical SMILES for decan-2-yloxy-pentoxy-diphenylsilane is CCCCCCCCC(C)O[Si](OCCCCC)(c1ccccc1)c1ccccc1.
What is the InChIKey of decan-2-yloxy-pentoxy-diphenylsilane?
The InChIKey is WMIHVSGOUAUPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H42O2Si/c1-4-6-8-9-10-13-19-25(3)29-30(28-24-18-7-5-2,26-20-14-11-15-21-26)27-22-16-12-17-23-27/h11-12,14-17,20-23,25H,4-10,13,18-19,24H2,1-3H3.
What are the key properties of decan-2-yloxy-pentoxy-diphenylsilane?
decan-2-yloxy-pentoxy-diphenylsilane has a molecular weight of 426.72 g/mol, XLogP of 6.61, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for decan-2-yloxy-pentoxy-diphenylsilane is sourced from PubChem (CID 91740053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).