but-3-yn-2-yloxy-dimethyl-octylsilane

C14H28OSi — CID 531295

IUPACbut-3-yn-2-yloxy-dimethyl-octylsilane
SMILESC#CC(C)O[Si](C)(C)CCCCCCCC
InChIInChI=1S/C14H28OSi/c1-6-8-9-10-11-12-13-16(4,5)15-14(3)7-2/h2,14H,6,8-13H2,1,3-5H3
InChIKeyRFAQTEOPLMWYJD-UHFFFAOYSA-N
MW240.46 g/mol
LogP4.59
Rot. Bonds9

About but-3-yn-2-yloxy-dimethyl-octylsilane

but-3-yn-2-yloxy-dimethyl-octylsilane (PubChem CID 531295) has the molecular formula C14H28OSi and a molecular weight of 240.46 g/mol. Its IUPAC name is but-3-yn-2-yloxy-dimethyl-octylsilane.

Molecular Properties

Compound Namebut-3-yn-2-yloxy-dimethyl-octylsilane
PubChem CID531295
Molecular FormulaC14H28OSi
Molecular Weight240.46 g/mol
Exact Mass240.19
IUPAC Namebut-3-yn-2-yloxy-dimethyl-octylsilane
SMILESC#CC(C)O[Si](C)(C)CCCCCCCC
InChIInChI=1S/C14H28OSi/c1-6-8-9-10-11-12-13-16(4,5)15-14(3)7-2/h2,14H,6,8-13H2,1,3-5H3
InChIKeyRFAQTEOPLMWYJD-UHFFFAOYSA-N
XLogP4.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.46
LogP ≤ 54.59
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)[(1-pentylprop-2-ynyl)oxy]silane
CID 11791325
3-Trimethylsilyloxy-1-octyne
CID 12581365
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
1-Dimethylisopropylsilyloxytridec-2-yne
CID 531293
1-Dimethyloctylsilyloxytridec-2-yne
CID 531301
2-Tripropylsilyloxybut-3-yne
CID 531302
1-Tripropylsilyloxytridec-2-yne
CID 531311
2-Trihexylsilyloxybut-3-yne
CID 531313
3-Trihehylsilyloxyhex-4-yne
CID 531316
1-Trihexylsilyloxytridec-2-yne
CID 531322

Frequently Asked Questions

What is the IUPAC name of but-3-yn-2-yloxy-dimethyl-octylsilane?
The IUPAC name of but-3-yn-2-yloxy-dimethyl-octylsilane (CID 531295) is but-3-yn-2-yloxy-dimethyl-octylsilane.
What is the SMILES notation for but-3-yn-2-yloxy-dimethyl-octylsilane?
The canonical SMILES for but-3-yn-2-yloxy-dimethyl-octylsilane is C#CC(C)O[Si](C)(C)CCCCCCCC.
What is the InChIKey of but-3-yn-2-yloxy-dimethyl-octylsilane?
The InChIKey is RFAQTEOPLMWYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28OSi/c1-6-8-9-10-11-12-13-16(4,5)15-14(3)7-2/h2,14H,6,8-13H2,1,3-5H3.
What are the key properties of but-3-yn-2-yloxy-dimethyl-octylsilane?
but-3-yn-2-yloxy-dimethyl-octylsilane has a molecular weight of 240.46 g/mol, XLogP of 4.59, 9 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-dimethyl-octylsilane is sourced from PubChem (CID 531295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).