heptoxy-hex-4-yn-3-yloxy-dimethylsilane

C15H30O2Si — CID 91737717

IUPACheptoxy-hex-4-yn-3-yloxy-dimethylsilane
SMILESCC#CC(CC)O[Si](C)(C)OCCCCCCC
InChIInChI=1S/C15H30O2Si/c1-6-9-10-11-12-14-16-18(4,5)17-15(8-3)13-7-2/h15H,6,8-12,14H2,1-5H3
InChIKeyWSYZUOSBNCWWBX-UHFFFAOYSA-N
MW270.49 g/mol
LogP4.49
Rot. Bonds10

About heptoxy-hex-4-yn-3-yloxy-dimethylsilane

heptoxy-hex-4-yn-3-yloxy-dimethylsilane (PubChem CID 91737717) has the molecular formula C15H30O2Si and a molecular weight of 270.49 g/mol. Its IUPAC name is heptoxy-hex-4-yn-3-yloxy-dimethylsilane.

Molecular Properties

Compound Nameheptoxy-hex-4-yn-3-yloxy-dimethylsilane
PubChem CID91737717
Molecular FormulaC15H30O2Si
Molecular Weight270.49 g/mol
Exact Mass270.20
IUPAC Nameheptoxy-hex-4-yn-3-yloxy-dimethylsilane
SMILESCC#CC(CC)O[Si](C)(C)OCCCCCCC
InChIInChI=1S/C15H30O2Si/c1-6-9-10-11-12-14-16-18(4,5)17-15(8-3)13-7-2/h15H,6,8-12,14H2,1-5H3
InChIKeyWSYZUOSBNCWWBX-UHFFFAOYSA-N
XLogP4.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

Silane, trimethyl[(1-methylheptyl)oxy]-
CID 519505
Silane, dimethyl(2-heptyloxy)propoxy-
CID 91723694
tert-Butyl(dimethyl)[(1-pentylprop-2-ynyl)oxy]silane
CID 11791325
3-Trimethylsilyloxy-1-octyne
CID 12581365
Silane, trimethyl[(1-methylhexyl)oxy]-
CID 575935
Silane, trimethyl[(1-methylnonyl)oxy]-
CID 575936
Silane, dimethyl(dodec-9-ynyloxy)propoxy-
CID 91697246
Silane, dimethyl(dodec-9-ynyloxy)ethoxy-
CID 91703734
Silane, dimethyl(3-heptyloxy)propoxy-
CID 91709967
Silane, dimethyl(2-octyloxy)ethoxy-
CID 91719383
Silane, dimethyl(2-decyloxy)ethoxy-
CID 91719384
Silane, dimethyl(2-octyloxy)propoxy-
CID 91723691

Frequently Asked Questions

What is the IUPAC name of heptoxy-hex-4-yn-3-yloxy-dimethylsilane?
The IUPAC name of heptoxy-hex-4-yn-3-yloxy-dimethylsilane (CID 91737717) is heptoxy-hex-4-yn-3-yloxy-dimethylsilane.
What is the SMILES notation for heptoxy-hex-4-yn-3-yloxy-dimethylsilane?
The canonical SMILES for heptoxy-hex-4-yn-3-yloxy-dimethylsilane is CC#CC(CC)O[Si](C)(C)OCCCCCCC.
What is the InChIKey of heptoxy-hex-4-yn-3-yloxy-dimethylsilane?
The InChIKey is WSYZUOSBNCWWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O2Si/c1-6-9-10-11-12-14-16-18(4,5)17-15(8-3)13-7-2/h15H,6,8-12,14H2,1-5H3.
What are the key properties of heptoxy-hex-4-yn-3-yloxy-dimethylsilane?
heptoxy-hex-4-yn-3-yloxy-dimethylsilane has a molecular weight of 270.49 g/mol, XLogP of 4.49, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for heptoxy-hex-4-yn-3-yloxy-dimethylsilane is sourced from PubChem (CID 91737717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).