butoxy-diethynyl-phenylsilane

C14H16OSi — CID 139780914

IUPACbutoxy-diethynyl-phenylsilane
SMILESC#C[Si](C#C)(OCCCC)c1ccccc1
InChIInChI=1S/C14H16OSi/c1-4-7-13-15-16(5-2,6-3)14-11-9-8-10-12-14/h2-3,8-12H,4,7,13H2,1H3
InChIKeyMAVYKRYDHZXBGB-UHFFFAOYSA-N
MW228.37 g/mol
LogP2.00
Rot. Bonds5

About butoxy-diethynyl-phenylsilane

butoxy-diethynyl-phenylsilane (PubChem CID 139780914) has the molecular formula C14H16OSi and a molecular weight of 228.37 g/mol. Its IUPAC name is butoxy-diethynyl-phenylsilane.

Molecular Properties

Compound Namebutoxy-diethynyl-phenylsilane
PubChem CID139780914
Molecular FormulaC14H16OSi
Molecular Weight228.37 g/mol
Exact Mass228.10
IUPAC Namebutoxy-diethynyl-phenylsilane
SMILESC#C[Si](C#C)(OCCCC)c1ccccc1
InChIInChI=1S/C14H16OSi/c1-4-7-13-15-16(5-2,6-3)14-11-9-8-10-12-14/h2-3,8-12H,4,7,13H2,1H3
InChIKeyMAVYKRYDHZXBGB-UHFFFAOYSA-N
XLogP2.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.37
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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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Related Compounds

butoxy-[butoxy(diphenyl)silyl]oxy-diphenylsilane
CID 68750279
sodium dibutoxy-oxido-phenylsilane
CID 101018788
butoxy-(2-fluoroethoxy)-diphenylsilane
CID 91717515
butoxy-(4-methylcyclohexyl)oxy-diphenylsilane
CID 91741215
ethynyl-[2-(ethynyl-methyl-phenylsilyl)ethynyl]-methyl-phenylsilane
CID 139653371
[diphenyl(propoxy)silyl]-diphenyl-propoxysilane
CID 4983339
ethenyl-pentoxy-diphenylsilane
CID 575251
hexoxy-(2-methoxyethoxy)-diphenylsilane
CID 91740712
dipentoxy-phenyl-prop-2-enylsilane
CID 155641379
2-fluoroethoxy-octadecoxy-diphenylsilane
CID 91717520
butyl-chloro-phenyl-propoxysilane
CID 140744872
2-ethoxyethoxy-octoxy-diphenylsilane
CID 91742546

Frequently Asked Questions

What is the IUPAC name of butoxy-diethynyl-phenylsilane?
The IUPAC name of butoxy-diethynyl-phenylsilane (CID 139780914) is butoxy-diethynyl-phenylsilane.
What is the SMILES notation for butoxy-diethynyl-phenylsilane?
The canonical SMILES for butoxy-diethynyl-phenylsilane is C#C[Si](C#C)(OCCCC)c1ccccc1.
What is the InChIKey of butoxy-diethynyl-phenylsilane?
The InChIKey is MAVYKRYDHZXBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16OSi/c1-4-7-13-15-16(5-2,6-3)14-11-9-8-10-12-14/h2-3,8-12H,4,7,13H2,1H3.
What are the key properties of butoxy-diethynyl-phenylsilane?
butoxy-diethynyl-phenylsilane has a molecular weight of 228.37 g/mol, XLogP of 2.00, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy-diethynyl-phenylsilane is sourced from PubChem (CID 139780914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).