triethoxy(hex-5-ynyl)silane

C12H24O3Si — CID 87601090

IUPACtriethoxy(hex-5-ynyl)silane
SMILESC#CCCCC[Si](OCC)(OCC)OCC
InChIInChI=1S/C12H24O3Si/c1-5-9-10-11-12-16(13-6-2,14-7-3)15-8-4/h1H,6-12H2,2-4H3
InChIKeyGCBJUZUDUDKUNP-UHFFFAOYSA-N
MW244.41 g/mol
LogP2.84
Rot. Bonds10

About triethoxy(hex-5-ynyl)silane

triethoxy(hex-5-ynyl)silane (PubChem CID 87601090) has the molecular formula C12H24O3Si and a molecular weight of 244.41 g/mol. Its IUPAC name is triethoxy(hex-5-ynyl)silane.

Molecular Properties

Compound Nametriethoxy(hex-5-ynyl)silane
PubChem CID87601090
Molecular FormulaC12H24O3Si
Molecular Weight244.41 g/mol
Exact Mass244.15
IUPAC Nametriethoxy(hex-5-ynyl)silane
SMILESC#CCCCC[Si](OCC)(OCC)OCC
InChIInChI=1S/C12H24O3Si/c1-5-9-10-11-12-16(13-6-2,14-7-3)15-8-4/h1H,6-12H2,2-4H3
InChIKeyGCBJUZUDUDKUNP-UHFFFAOYSA-N
XLogP2.84
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.41
LogP ≤ 52.84
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'}

Analyze triethoxy(hex-5-ynyl)silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of triethoxy(hex-5-ynyl)silane?
The IUPAC name of triethoxy(hex-5-ynyl)silane (CID 87601090) is triethoxy(hex-5-ynyl)silane.
What is the SMILES notation for triethoxy(hex-5-ynyl)silane?
The canonical SMILES for triethoxy(hex-5-ynyl)silane is C#CCCCC[Si](OCC)(OCC)OCC.
What is the InChIKey of triethoxy(hex-5-ynyl)silane?
The InChIKey is GCBJUZUDUDKUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3Si/c1-5-9-10-11-12-16(13-6-2,14-7-3)15-8-4/h1H,6-12H2,2-4H3.
What are the key properties of triethoxy(hex-5-ynyl)silane?
triethoxy(hex-5-ynyl)silane has a molecular weight of 244.41 g/mol, XLogP of 2.84, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy(hex-5-ynyl)silane is sourced from PubChem (CID 87601090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).