but-3-yn-2-yloxy(trihexyl)silane

C22H44OSi — CID 531313

IUPACbut-3-yn-2-yloxy(trihexyl)silane
SMILESC#CC(C)O[Si](CCCCCC)(CCCCCC)CCCCCC
InChIInChI=1S/C22H44OSi/c1-6-10-13-16-19-24(23-22(5)9-4,20-17-14-11-7-2)21-18-15-12-8-3/h4,22H,6-8,10-21H2,1-3,5H3
InChIKeyBTJZVMFYBCYTSO-UHFFFAOYSA-N
MW352.68 g/mol
LogP7.71
Rot. Bonds17

About but-3-yn-2-yloxy(trihexyl)silane

but-3-yn-2-yloxy(trihexyl)silane (PubChem CID 531313) has the molecular formula C22H44OSi and a molecular weight of 352.68 g/mol. Its IUPAC name is but-3-yn-2-yloxy(trihexyl)silane.

Molecular Properties

Compound Namebut-3-yn-2-yloxy(trihexyl)silane
PubChem CID531313
Molecular FormulaC22H44OSi
Molecular Weight352.68 g/mol
Exact Mass352.32
IUPAC Namebut-3-yn-2-yloxy(trihexyl)silane
SMILESC#CC(C)O[Si](CCCCCC)(CCCCCC)CCCCCC
InChIInChI=1S/C22H44OSi/c1-6-10-13-16-19-24(23-22(5)9-4,20-17-14-11-7-2)21-18-15-12-8-3/h4,22H,6-8,10-21H2,1-3,5H3
InChIKeyBTJZVMFYBCYTSO-UHFFFAOYSA-N
XLogP7.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.68
LogP ≤ 57.71
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

t-Butyl(hept-6-yn-2-yloxy)dimethylsilane
CID 12753622
(S)-3-tert-butyldimethylsilanyloxy-1-heptyne
CID 12164636
tert-Butyl[(hex-1-yn-3-yl)oxy]dimethylsilane
CID 14493855
But-2-ynoxy-oct-1-ynyl-di(propan-2-yl)silane
CID 23777790
2-Triisobutylsilyloxybut-3-yne
CID 531258
3-Triisobutyloxyhex-4-yne
CID 531261
1-Dimethylisopropylsilyloxytridec-2-yne
CID 531293
2-Dimethyloctylsilyloxybut-3-yne
CID 531295
1-Dimethyloctylsilyloxytridec-2-yne
CID 531301
2-Tripropylsilyloxybut-3-yne
CID 531302
1-Tripropylsilyloxytridec-2-yne
CID 531311
3-Trihehylsilyloxyhex-4-yne
CID 531316

Frequently Asked Questions

What is the IUPAC name of but-3-yn-2-yloxy(trihexyl)silane?
The IUPAC name of but-3-yn-2-yloxy(trihexyl)silane (CID 531313) is but-3-yn-2-yloxy(trihexyl)silane.
What is the SMILES notation for but-3-yn-2-yloxy(trihexyl)silane?
The canonical SMILES for but-3-yn-2-yloxy(trihexyl)silane is C#CC(C)O[Si](CCCCCC)(CCCCCC)CCCCCC.
What is the InChIKey of but-3-yn-2-yloxy(trihexyl)silane?
The InChIKey is BTJZVMFYBCYTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44OSi/c1-6-10-13-16-19-24(23-22(5)9-4,20-17-14-11-7-2)21-18-15-12-8-3/h4,22H,6-8,10-21H2,1-3,5H3.
What are the key properties of but-3-yn-2-yloxy(trihexyl)silane?
but-3-yn-2-yloxy(trihexyl)silane has a molecular weight of 352.68 g/mol, XLogP of 7.71, 17 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(trihexyl)silane is sourced from PubChem (CID 531313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).