dihexadecoxy(phenyl)silane

C38H72O2Si — CID 173048581

IUPACdihexadecoxy(phenyl)silane
SMILESCCCCCCCCCCCCCCCCO[SiH](OCCCCCCCCCCCCCCCC)c1ccccc1
InChIInChI=1S/C38H72O2Si/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-32-36-39-41(38-34-30-29-31-35-38)40-37-33-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29-31,34-35,41H,3-28,32-33,36-37H2,1-2H3
InChIKeyXECAOIGSHOCHRU-UHFFFAOYSA-N
MW589.08 g/mol
LogP12.11
Rot. Bonds33

About dihexadecoxy(phenyl)silane

dihexadecoxy(phenyl)silane (PubChem CID 173048581) has the molecular formula C38H72O2Si and a molecular weight of 589.08 g/mol. Its IUPAC name is dihexadecoxy(phenyl)silane.

Molecular Properties

Compound Namedihexadecoxy(phenyl)silane
PubChem CID173048581
Molecular FormulaC38H72O2Si
Molecular Weight589.08 g/mol
Exact Mass588.53
IUPAC Namedihexadecoxy(phenyl)silane
SMILESCCCCCCCCCCCCCCCCO[SiH](OCCCCCCCCCCCCCCCC)c1ccccc1
InChIInChI=1S/C38H72O2Si/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-32-36-39-41(38-34-30-29-31-35-38)40-37-33-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29-31,34-35,41H,3-28,32-33,36-37H2,1-2H3
InChIKeyXECAOIGSHOCHRU-UHFFFAOYSA-N
XLogP12.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds33
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.08
LogP ≤ 512.11
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 dihexadecoxy(phenyl)silane?
The IUPAC name of dihexadecoxy(phenyl)silane (CID 173048581) is dihexadecoxy(phenyl)silane.
What is the SMILES notation for dihexadecoxy(phenyl)silane?
The canonical SMILES for dihexadecoxy(phenyl)silane is CCCCCCCCCCCCCCCCO[SiH](OCCCCCCCCCCCCCCCC)c1ccccc1.
What is the InChIKey of dihexadecoxy(phenyl)silane?
The InChIKey is XECAOIGSHOCHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H72O2Si/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-32-36-39-41(38-34-30-29-31-35-38)40-37-33-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29-31,34-35,41H,3-28,32-33,36-37H2,1-2H3.
What are the key properties of dihexadecoxy(phenyl)silane?
dihexadecoxy(phenyl)silane has a molecular weight of 589.08 g/mol, XLogP of 12.11, 33 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dihexadecoxy(phenyl)silane is sourced from PubChem (CID 173048581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).