diethoxy(4-phenylbut-3-ynyl)silane

C14H20O2Si — CID 123394043

IUPACdiethoxy(4-phenylbut-3-ynyl)silane
SMILESCCO[SiH](CCC#Cc1ccccc1)OCC
InChIInChI=1S/C14H20O2Si/c1-3-15-17(16-4-2)13-9-8-12-14-10-6-5-7-11-14/h5-7,10-11,17H,3-4,9,13H2,1-2H3
InChIKeyNUNBMMAADBDRMT-UHFFFAOYSA-N
MW248.40 g/mol
LogP2.72
Rot. Bonds6

About diethoxy(4-phenylbut-3-ynyl)silane

diethoxy(4-phenylbut-3-ynyl)silane (PubChem CID 123394043) has the molecular formula C14H20O2Si and a molecular weight of 248.40 g/mol. Its IUPAC name is diethoxy(4-phenylbut-3-ynyl)silane.

Molecular Properties

Compound Namediethoxy(4-phenylbut-3-ynyl)silane
PubChem CID123394043
Molecular FormulaC14H20O2Si
Molecular Weight248.40 g/mol
Exact Mass248.12
IUPAC Namediethoxy(4-phenylbut-3-ynyl)silane
SMILESCCO[SiH](CCC#Cc1ccccc1)OCC
InChIInChI=1S/C14H20O2Si/c1-3-15-17(16-4-2)13-9-8-12-14-10-6-5-7-11-14/h5-7,10-11,17H,3-4,9,13H2,1-2H3
InChIKeyNUNBMMAADBDRMT-UHFFFAOYSA-N
XLogP2.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.40
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

4-phenylbut-3-yne-1-thiol
CID 12602832
tridec-1-ynylbenzene
CID 19991064
N-[(4-ethylcyclohexyl)methyl]-3-phenylprop-2-yn-1-amine
CID 62338995
N-ethoxy-3-phenylprop-2-yn-1-amine
CID 64975006
ethane;non-1-ynylbenzene
CID 143616673
(2S)-6-phenylhex-5-yn-2-amine
CID 71351501
(1-ethoxy-2-methyl-6-phenylhex-5-ynylidene)chromium
CID 11774124
5-phenyl-N-propylpent-4-yn-1-amine
CID 11401415
3-diethoxysilylpropyl benzoate
CID 123660866
N-(5-phenylpent-4-ynylidene)hydroxylamine
CID 168876172
but-1-ynylbenzene;2-methylprop-1-ene
CID 164573656
6-bromohex-1-ynylbenzene
CID 10728550

Frequently Asked Questions

What is the IUPAC name of diethoxy(4-phenylbut-3-ynyl)silane?
The IUPAC name of diethoxy(4-phenylbut-3-ynyl)silane (CID 123394043) is diethoxy(4-phenylbut-3-ynyl)silane.
What is the SMILES notation for diethoxy(4-phenylbut-3-ynyl)silane?
The canonical SMILES for diethoxy(4-phenylbut-3-ynyl)silane is CCO[SiH](CCC#Cc1ccccc1)OCC.
What is the InChIKey of diethoxy(4-phenylbut-3-ynyl)silane?
The InChIKey is NUNBMMAADBDRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2Si/c1-3-15-17(16-4-2)13-9-8-12-14-10-6-5-7-11-14/h5-7,10-11,17H,3-4,9,13H2,1-2H3.
What are the key properties of diethoxy(4-phenylbut-3-ynyl)silane?
diethoxy(4-phenylbut-3-ynyl)silane has a molecular weight of 248.40 g/mol, XLogP of 2.72, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy(4-phenylbut-3-ynyl)silane is sourced from PubChem (CID 123394043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).