pent-1-ynyl(1-phenylethoxy)silane

C13H18OSi — CID 175222836

IUPACpent-1-ynyl(1-phenylethoxy)silane
SMILESCCCC#C[SiH2]OC(C)c1ccccc1
InChIInChI=1S/C13H18OSi/c1-3-4-8-11-15-14-12(2)13-9-6-5-7-10-13/h5-7,9-10,12H,3-4,15H2,1-2H3
InChIKeyGLHTUYLIJAPIEV-UHFFFAOYSA-N
MW218.37 g/mol
LogP2.61
Rot. Bonds4

About pent-1-ynyl(1-phenylethoxy)silane

pent-1-ynyl(1-phenylethoxy)silane (PubChem CID 175222836) has the molecular formula C13H18OSi and a molecular weight of 218.37 g/mol. Its IUPAC name is pent-1-ynyl(1-phenylethoxy)silane.

Molecular Properties

Compound Namepent-1-ynyl(1-phenylethoxy)silane
PubChem CID175222836
Molecular FormulaC13H18OSi
Molecular Weight218.37 g/mol
Exact Mass218.11
IUPAC Namepent-1-ynyl(1-phenylethoxy)silane
SMILESCCCC#C[SiH2]OC(C)c1ccccc1
InChIInChI=1S/C13H18OSi/c1-3-4-8-11-15-14-12(2)13-9-6-5-7-10-13/h5-7,9-10,12H,3-4,15H2,1-2H3
InChIKeyGLHTUYLIJAPIEV-UHFFFAOYSA-N
XLogP2.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.37
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

[(1R)-1-[(2S)-pentan-2-yl]oxyethyl]benzene
CID 139248421
1-bromohex-2-ynylbenzene
CID 164887667
1-(disulfanyloxy)ethylbenzene
CID 139459005
1-phenylethoxy(silyloxy)silane
CID 173324206
N-[pent-1-ynyl(propyl)boranyl]-1-phenylethanamine
CID 134978670
pentan-2-ylbenzene
CID 17627
1-decan-2-yloxyethylbenzene
CID 102455455
cumene;2-methylpropane;propane
CID 158125037
1-pentoxyethylbenzene;hydrate
CID 174634303
ethanol;1-phenylethyl propanoate
CID 175279617
diethyl [(1S)-1-phenylethyl] phosphate
CID 10945101
2-[4-(1-phenylbutyl)phenyl]ethanol
CID 166439052

Frequently Asked Questions

What is the IUPAC name of pent-1-ynyl(1-phenylethoxy)silane?
The IUPAC name of pent-1-ynyl(1-phenylethoxy)silane (CID 175222836) is pent-1-ynyl(1-phenylethoxy)silane.
What is the SMILES notation for pent-1-ynyl(1-phenylethoxy)silane?
The canonical SMILES for pent-1-ynyl(1-phenylethoxy)silane is CCCC#C[SiH2]OC(C)c1ccccc1.
What is the InChIKey of pent-1-ynyl(1-phenylethoxy)silane?
The InChIKey is GLHTUYLIJAPIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18OSi/c1-3-4-8-11-15-14-12(2)13-9-6-5-7-10-13/h5-7,9-10,12H,3-4,15H2,1-2H3.
What are the key properties of pent-1-ynyl(1-phenylethoxy)silane?
pent-1-ynyl(1-phenylethoxy)silane has a molecular weight of 218.37 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pent-1-ynyl(1-phenylethoxy)silane is sourced from PubChem (CID 175222836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).