hexadecyl(tripropoxy)silane

C25H54O3Si — CID 22228651

IUPAChexadecyl(tripropoxy)silane
SMILESCCCCCCCCCCCCCCCC[Si](OCCC)(OCCC)OCCC
InChIInChI=1S/C25H54O3Si/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-21-25-29(26-22-6-2,27-23-7-3)28-24-8-4/h5-25H2,1-4H3
InChIKeyKOKBMMKKTAXPSV-UHFFFAOYSA-N
MW430.79 g/mol
LogP8.69
Rot. Bonds24

About hexadecyl(tripropoxy)silane

hexadecyl(tripropoxy)silane (PubChem CID 22228651) has the molecular formula C25H54O3Si and a molecular weight of 430.79 g/mol. Its IUPAC name is hexadecyl(tripropoxy)silane.

Molecular Properties

Compound Namehexadecyl(tripropoxy)silane
PubChem CID22228651
Molecular FormulaC25H54O3Si
Molecular Weight430.79 g/mol
Exact Mass430.38
IUPAC Namehexadecyl(tripropoxy)silane
SMILESCCCCCCCCCCCCCCCC[Si](OCCC)(OCCC)OCCC
InChIInChI=1S/C25H54O3Si/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-21-25-29(26-22-6-2,27-23-7-3)28-24-8-4/h5-25H2,1-4H3
InChIKeyKOKBMMKKTAXPSV-UHFFFAOYSA-N
XLogP8.69
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds24
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.79
LogP ≤ 58.69
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'}

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Related Compounds

icosyl(tripropoxy)silane
CID 141079291
4-tripropoxysilylbutan-1-amine
CID 15986561
6-tripentoxysilylhexan-1-amine
CID 152508476
dodecyl(triethoxy)silane;tridecane
CID 174970002
triethoxy(henicosyl)silane
CID 141362894
triethoxy(nonyl)silane;triethoxy(octyl)silane
CID 175508301
4-tripropoxysilylbutan-1-ol
CID 18780457
trihexoxy(3-propoxypropyl)silane
CID 90222571
tributyl(3-tripropoxysilylpropyl)azanium chloride
CID 161047620
triethoxy(nonyl)silane;hydrofluoride
CID 161088856
silane;triethoxy(tetradecyl)silane
CID 161365398
trihexadecyl(propoxy)silane
CID 172579393

Frequently Asked Questions

What is the IUPAC name of hexadecyl(tripropoxy)silane?
The IUPAC name of hexadecyl(tripropoxy)silane (CID 22228651) is hexadecyl(tripropoxy)silane.
What is the SMILES notation for hexadecyl(tripropoxy)silane?
The canonical SMILES for hexadecyl(tripropoxy)silane is CCCCCCCCCCCCCCCC[Si](OCCC)(OCCC)OCCC.
What is the InChIKey of hexadecyl(tripropoxy)silane?
The InChIKey is KOKBMMKKTAXPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H54O3Si/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-21-25-29(26-22-6-2,27-23-7-3)28-24-8-4/h5-25H2,1-4H3.
What are the key properties of hexadecyl(tripropoxy)silane?
hexadecyl(tripropoxy)silane has a molecular weight of 430.79 g/mol, XLogP of 8.69, 24 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hexadecyl(tripropoxy)silane is sourced from PubChem (CID 22228651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).