trihexyl(tridec-2-ynoxy)silane

C31H62OSi — CID 531322

IUPACtrihexyl(tridec-2-ynoxy)silane
SMILESCCCCCCCCCCC#CCO[Si](CCCCCC)(CCCCCC)CCCCCC
InChIInChI=1S/C31H62OSi/c1-5-9-13-17-18-19-20-21-22-23-24-28-32-33(29-25-14-10-6-2,30-26-15-11-7-3)31-27-16-12-8-4/h5-22,25-31H2,1-4H3
InChIKeyDIYDGQREDMEXSM-UHFFFAOYSA-N
MW478.92 g/mol
LogP11.22
Rot. Bonds25

About trihexyl(tridec-2-ynoxy)silane

trihexyl(tridec-2-ynoxy)silane (PubChem CID 531322) has the molecular formula C31H62OSi and a molecular weight of 478.92 g/mol. Its IUPAC name is trihexyl(tridec-2-ynoxy)silane.

Molecular Properties

Compound Nametrihexyl(tridec-2-ynoxy)silane
PubChem CID531322
Molecular FormulaC31H62OSi
Molecular Weight478.92 g/mol
Exact Mass478.46
IUPAC Nametrihexyl(tridec-2-ynoxy)silane
SMILESCCCCCCCCCCC#CCO[Si](CCCCCC)(CCCCCC)CCCCCC
InChIInChI=1S/C31H62OSi/c1-5-9-13-17-18-19-20-21-22-23-24-28-32-33(29-25-14-10-6-2,30-26-15-11-7-3)31-27-16-12-8-4/h5-22,25-31H2,1-4H3
InChIKeyDIYDGQREDMEXSM-UHFFFAOYSA-N
XLogP11.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds25
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.92
LogP ≤ 511.22
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

Diethoxymethyloctadecylsilane
CID 105838
Silane, dodecyldiethoxymethyl-
CID 108922
Dimethyldodecylsilyloxyethane
CID 531757
1-(Dimethyldodecylsilyloxy)butane
CID 531758
Didecyldiethoxysilane
CID 21688959
Dinonyldiethoxysilane
CID 90258978
Didecylethoxy-silane
CID 129808903
But-2-ynoxy-oct-1-ynyl-di(propan-2-yl)silane
CID 23777790
1-Triisobutylsilyloxytridec-2-yne
CID 531267
1-Trimethylsilyloxytridec-2-yne
CID 531274
1-Dimethylisopropylsilyloxytridec-2-yne
CID 531293
2-Dimethyloctylsilyloxybut-3-yne
CID 531295

Frequently Asked Questions

What is the IUPAC name of trihexyl(tridec-2-ynoxy)silane?
The IUPAC name of trihexyl(tridec-2-ynoxy)silane (CID 531322) is trihexyl(tridec-2-ynoxy)silane.
What is the SMILES notation for trihexyl(tridec-2-ynoxy)silane?
The canonical SMILES for trihexyl(tridec-2-ynoxy)silane is CCCCCCCCCCC#CCO[Si](CCCCCC)(CCCCCC)CCCCCC.
What is the InChIKey of trihexyl(tridec-2-ynoxy)silane?
The InChIKey is DIYDGQREDMEXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H62OSi/c1-5-9-13-17-18-19-20-21-22-23-24-28-32-33(29-25-14-10-6-2,30-26-15-11-7-3)31-27-16-12-8-4/h5-22,25-31H2,1-4H3.
What are the key properties of trihexyl(tridec-2-ynoxy)silane?
trihexyl(tridec-2-ynoxy)silane has a molecular weight of 478.92 g/mol, XLogP of 11.22, 25 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trihexyl(tridec-2-ynoxy)silane is sourced from PubChem (CID 531322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).