hexadec-1-ynyl(trimethoxy)silane

C19H38O3Si — CID 86239021

IUPAChexadec-1-ynyl(trimethoxy)silane
SMILESCCCCCCCCCCCCCCC#C[Si](OC)(OC)OC
InChIInChI=1S/C19H38O3Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(20-2,21-3)22-4/h5-17H2,1-4H3
InChIKeyUCUYWFHRYGDTPS-UHFFFAOYSA-N
MW342.60 g/mol
LogP5.50
Rot. Bonds15

About hexadec-1-ynyl(trimethoxy)silane

hexadec-1-ynyl(trimethoxy)silane (PubChem CID 86239021) has the molecular formula C19H38O3Si and a molecular weight of 342.60 g/mol. Its IUPAC name is hexadec-1-ynyl(trimethoxy)silane.

Molecular Properties

Compound Namehexadec-1-ynyl(trimethoxy)silane
PubChem CID86239021
Molecular FormulaC19H38O3Si
Molecular Weight342.60 g/mol
Exact Mass342.26
IUPAC Namehexadec-1-ynyl(trimethoxy)silane
SMILESCCCCCCCCCCCCCCC#C[Si](OC)(OC)OC
InChIInChI=1S/C19H38O3Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(20-2,21-3)22-4/h5-17H2,1-4H3
InChIKeyUCUYWFHRYGDTPS-UHFFFAOYSA-N
XLogP5.50
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.60
LogP ≤ 55.50
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of hexadec-1-ynyl(trimethoxy)silane?
The IUPAC name of hexadec-1-ynyl(trimethoxy)silane (CID 86239021) is hexadec-1-ynyl(trimethoxy)silane.
What is the SMILES notation for hexadec-1-ynyl(trimethoxy)silane?
The canonical SMILES for hexadec-1-ynyl(trimethoxy)silane is CCCCCCCCCCCCCCC#C[Si](OC)(OC)OC.
What is the InChIKey of hexadec-1-ynyl(trimethoxy)silane?
The InChIKey is UCUYWFHRYGDTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O3Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(20-2,21-3)22-4/h5-17H2,1-4H3.
What are the key properties of hexadec-1-ynyl(trimethoxy)silane?
hexadec-1-ynyl(trimethoxy)silane has a molecular weight of 342.60 g/mol, XLogP of 5.50, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hexadec-1-ynyl(trimethoxy)silane is sourced from PubChem (CID 86239021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).