decan-2-yloxy-diphenyl-propoxysilane

C25H38O2Si — CID 91737875

IUPACdecan-2-yloxy-diphenyl-propoxysilane
SMILESCCCCCCCCC(C)O[Si](OCCC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H38O2Si/c1-4-6-7-8-9-12-17-23(3)27-28(26-22-5-2,24-18-13-10-14-19-24)25-20-15-11-16-21-25/h10-11,13-16,18-21,23H,4-9,12,17,22H2,1-3H3
InChIKeyPLIGPOOAOBLXCR-UHFFFAOYSA-N
MW398.66 g/mol
LogP5.83
Rot. Bonds14

About decan-2-yloxy-diphenyl-propoxysilane

decan-2-yloxy-diphenyl-propoxysilane (PubChem CID 91737875) has the molecular formula C25H38O2Si and a molecular weight of 398.66 g/mol. Its IUPAC name is decan-2-yloxy-diphenyl-propoxysilane.

Molecular Properties

Compound Namedecan-2-yloxy-diphenyl-propoxysilane
PubChem CID91737875
Molecular FormulaC25H38O2Si
Molecular Weight398.66 g/mol
Exact Mass398.26
IUPAC Namedecan-2-yloxy-diphenyl-propoxysilane
SMILESCCCCCCCCC(C)O[Si](OCCC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H38O2Si/c1-4-6-7-8-9-12-17-23(3)27-28(26-22-5-2,24-18-13-10-14-19-24)25-20-15-11-16-21-25/h10-11,13-16,18-21,23H,4-9,12,17,22H2,1-3H3
InChIKeyPLIGPOOAOBLXCR-UHFFFAOYSA-N
XLogP5.83
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.66
LogP ≤ 55.83
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'}

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Frequently Asked Questions

What is the IUPAC name of decan-2-yloxy-diphenyl-propoxysilane?
The IUPAC name of decan-2-yloxy-diphenyl-propoxysilane (CID 91737875) is decan-2-yloxy-diphenyl-propoxysilane.
What is the SMILES notation for decan-2-yloxy-diphenyl-propoxysilane?
The canonical SMILES for decan-2-yloxy-diphenyl-propoxysilane is CCCCCCCCC(C)O[Si](OCCC)(c1ccccc1)c1ccccc1.
What is the InChIKey of decan-2-yloxy-diphenyl-propoxysilane?
The InChIKey is PLIGPOOAOBLXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38O2Si/c1-4-6-7-8-9-12-17-23(3)27-28(26-22-5-2,24-18-13-10-14-19-24)25-20-15-11-16-21-25/h10-11,13-16,18-21,23H,4-9,12,17,22H2,1-3H3.
What are the key properties of decan-2-yloxy-diphenyl-propoxysilane?
decan-2-yloxy-diphenyl-propoxysilane has a molecular weight of 398.66 g/mol, XLogP of 5.83, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for decan-2-yloxy-diphenyl-propoxysilane is sourced from PubChem (CID 91737875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).