but-3-yn-2-yloxy-dodecyl-dimethylsilane

C18H36OSi — CID 531343

IUPACbut-3-yn-2-yloxy-dodecyl-dimethylsilane
SMILESC#CC(C)O[Si](C)(C)CCCCCCCCCCCC
InChIInChI=1S/C18H36OSi/c1-6-8-9-10-11-12-13-14-15-16-17-20(4,5)19-18(3)7-2/h2,18H,6,8-17H2,1,3-5H3
InChIKeyWBQDAXKVEXODDF-UHFFFAOYSA-N
MW296.57 g/mol
LogP6.15
Rot. Bonds13

About but-3-yn-2-yloxy-dodecyl-dimethylsilane

but-3-yn-2-yloxy-dodecyl-dimethylsilane (PubChem CID 531343) has the molecular formula C18H36OSi and a molecular weight of 296.57 g/mol. Its IUPAC name is but-3-yn-2-yloxy-dodecyl-dimethylsilane.

Molecular Properties

Compound Namebut-3-yn-2-yloxy-dodecyl-dimethylsilane
PubChem CID531343
Molecular FormulaC18H36OSi
Molecular Weight296.57 g/mol
Exact Mass296.25
IUPAC Namebut-3-yn-2-yloxy-dodecyl-dimethylsilane
SMILESC#CC(C)O[Si](C)(C)CCCCCCCCCCCC
InChIInChI=1S/C18H36OSi/c1-6-8-9-10-11-12-13-14-15-16-17-20(4,5)19-18(3)7-2/h2,18H,6,8-17H2,1,3-5H3
InChIKeyWBQDAXKVEXODDF-UHFFFAOYSA-N
XLogP6.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.57
LogP ≤ 56.15
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

tert-butyl-dimethyl-[(3R)-undec-1-yn-3-yl]oxysilane
CID 10968002
But-2-ynoxy-oct-1-ynyl-di(propan-2-yl)silane
CID 23777790
1-Triisobutylsilyloxytridec-2-yne
CID 531267
1-Trimethylsilyloxytridec-2-yne
CID 531274
1-Dimethylisopropylsilyloxytridec-2-yne
CID 531293
2-Dimethyloctylsilyloxybut-3-yne
CID 531295
1-Dimethyloctylsilyloxytridec-2-yne
CID 531301
1-Tripropylsilyloxytridec-2-yne
CID 531311
2-Trihexylsilyloxybut-3-yne
CID 531313
3-Trihehylsilyloxyhex-4-yne
CID 531316
1-Trihexylsilyloxytridec-2-yne
CID 531322
2-Tributylsilyloxybut-3-yne
CID 531332

Frequently Asked Questions

What is the IUPAC name of but-3-yn-2-yloxy-dodecyl-dimethylsilane?
The IUPAC name of but-3-yn-2-yloxy-dodecyl-dimethylsilane (CID 531343) is but-3-yn-2-yloxy-dodecyl-dimethylsilane.
What is the SMILES notation for but-3-yn-2-yloxy-dodecyl-dimethylsilane?
The canonical SMILES for but-3-yn-2-yloxy-dodecyl-dimethylsilane is C#CC(C)O[Si](C)(C)CCCCCCCCCCCC.
What is the InChIKey of but-3-yn-2-yloxy-dodecyl-dimethylsilane?
The InChIKey is WBQDAXKVEXODDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36OSi/c1-6-8-9-10-11-12-13-14-15-16-17-20(4,5)19-18(3)7-2/h2,18H,6,8-17H2,1,3-5H3.
What are the key properties of but-3-yn-2-yloxy-dodecyl-dimethylsilane?
but-3-yn-2-yloxy-dodecyl-dimethylsilane has a molecular weight of 296.57 g/mol, XLogP of 6.15, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-yn-2-yloxy-dodecyl-dimethylsilane is sourced from PubChem (CID 531343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).