hex-1-ynyl(trimethoxy)silane

C9H18O3Si — CID 139613203

IUPAChex-1-ynyl(trimethoxy)silane
SMILESCCCCC#C[Si](OC)(OC)OC
InChIInChI=1S/C9H18O3Si/c1-5-6-7-8-9-13(10-2,11-3)12-4/h5-7H2,1-4H3
InChIKeyUPATYXACDCFPFN-UHFFFAOYSA-N
MW202.33 g/mol
LogP1.60
Rot. Bonds5

About hex-1-ynyl(trimethoxy)silane

hex-1-ynyl(trimethoxy)silane (PubChem CID 139613203) has the molecular formula C9H18O3Si and a molecular weight of 202.33 g/mol. Its IUPAC name is hex-1-ynyl(trimethoxy)silane.

Molecular Properties

Compound Namehex-1-ynyl(trimethoxy)silane
PubChem CID139613203
Molecular FormulaC9H18O3Si
Molecular Weight202.33 g/mol
Exact Mass202.10
IUPAC Namehex-1-ynyl(trimethoxy)silane
SMILESCCCCC#C[Si](OC)(OC)OC
InChIInChI=1S/C9H18O3Si/c1-5-6-7-8-9-13(10-2,11-3)12-4/h5-7H2,1-4H3
InChIKeyUPATYXACDCFPFN-UHFFFAOYSA-N
XLogP1.60
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.33
LogP ≤ 51.60
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 hex-1-ynyl(trimethoxy)silane?
The IUPAC name of hex-1-ynyl(trimethoxy)silane (CID 139613203) is hex-1-ynyl(trimethoxy)silane.
What is the SMILES notation for hex-1-ynyl(trimethoxy)silane?
The canonical SMILES for hex-1-ynyl(trimethoxy)silane is CCCCC#C[Si](OC)(OC)OC.
What is the InChIKey of hex-1-ynyl(trimethoxy)silane?
The InChIKey is UPATYXACDCFPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3Si/c1-5-6-7-8-9-13(10-2,11-3)12-4/h5-7H2,1-4H3.
What are the key properties of hex-1-ynyl(trimethoxy)silane?
hex-1-ynyl(trimethoxy)silane has a molecular weight of 202.33 g/mol, XLogP of 1.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hex-1-ynyl(trimethoxy)silane is sourced from PubChem (CID 139613203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).