trihexadecyl(propoxy)silane

C51H106OSi — CID 172579393

IUPACtrihexadecyl(propoxy)silane
SMILESCCCCCCCCCCCCCCCC[Si](CCCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCCC)OCCC
InChIInChI=1S/C51H106OSi/c1-5-9-12-15-18-21-24-27-30-33-36-39-42-45-49-53(52-48-8-4,50-46-43-40-37-34-31-28-25-22-19-16-13-10-6-2)51-47-44-41-38-35-32-29-26-23-20-17-14-11-7-3/h5-51H2,1-4H3
InChIKeyGXGSINZAMQEVIY-UHFFFAOYSA-N
MW763.49 g/mol
LogP19.80
Rot. Bonds48

About trihexadecyl(propoxy)silane

trihexadecyl(propoxy)silane (PubChem CID 172579393) has the molecular formula C51H106OSi and a molecular weight of 763.49 g/mol. Its IUPAC name is trihexadecyl(propoxy)silane.

Molecular Properties

Compound Nametrihexadecyl(propoxy)silane
PubChem CID172579393
Molecular FormulaC51H106OSi
Molecular Weight763.49 g/mol
Exact Mass762.80
IUPAC Nametrihexadecyl(propoxy)silane
SMILESCCCCCCCCCCCCCCCC[Si](CCCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCCC)OCCC
InChIInChI=1S/C51H106OSi/c1-5-9-12-15-18-21-24-27-30-33-36-39-42-45-49-53(52-48-8-4,50-46-43-40-37-34-31-28-25-22-19-16-13-10-6-2)51-47-44-41-38-35-32-29-26-23-20-17-14-11-7-3/h5-51H2,1-4H3
InChIKeyGXGSINZAMQEVIY-UHFFFAOYSA-N
XLogP19.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds48
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.49
LogP ≤ 519.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

dibutyl-[3-[dibutyl(propoxy)silyl]propyl]-propoxysilane
CID 87145187
tributyl(decoxy)silane
CID 523467
hexadecyl(tripropoxy)silane
CID 22228651
heptadecoxy(tripropyl)silane
CID 632797
icosyl(tripropoxy)silane
CID 141079291
butoxy(tributyl)silane
CID 594608
hexadecyl-methyl-dipropoxysilane
CID 22228671
decyl-methyl-dipropoxysilane
CID 22228658
dibutyl-(iodomethyl)-propoxysilane
CID 23146625
decyl-dipropoxy-propylsilane
CID 22228664
ethyl-hexadecyl-dipropoxysilane
CID 22228686
butoxy-[3-[butoxy(dipropyl)silyl]propyl]-dipropylsilane
CID 87143618

Frequently Asked Questions

What is the IUPAC name of trihexadecyl(propoxy)silane?
The IUPAC name of trihexadecyl(propoxy)silane (CID 172579393) is trihexadecyl(propoxy)silane.
What is the SMILES notation for trihexadecyl(propoxy)silane?
The canonical SMILES for trihexadecyl(propoxy)silane is CCCCCCCCCCCCCCCC[Si](CCCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCCC)OCCC.
What is the InChIKey of trihexadecyl(propoxy)silane?
The InChIKey is GXGSINZAMQEVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H106OSi/c1-5-9-12-15-18-21-24-27-30-33-36-39-42-45-49-53(52-48-8-4,50-46-43-40-37-34-31-28-25-22-19-16-13-10-6-2)51-47-44-41-38-35-32-29-26-23-20-17-14-11-7-3/h5-51H2,1-4H3.
What are the key properties of trihexadecyl(propoxy)silane?
trihexadecyl(propoxy)silane has a molecular weight of 763.49 g/mol, XLogP of 19.80, 48 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trihexadecyl(propoxy)silane is sourced from PubChem (CID 172579393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).