heptoxy-dimethyl-non-5-yn-3-yloxysilane

C18H36O2Si — CID 91736746

IUPACheptoxy-dimethyl-non-5-yn-3-yloxysilane
SMILESCCCC#CCC(CC)O[Si](C)(C)OCCCCCCC
InChIInChI=1S/C18H36O2Si/c1-6-9-11-13-15-17-19-21(4,5)20-18(8-3)16-14-12-10-7-2/h18H,6-11,13,15-17H2,1-5H3
InChIKeyCUWLGAPEZXODPK-UHFFFAOYSA-N
MW312.57 g/mol
LogP5.66
Rot. Bonds12

About heptoxy-dimethyl-non-5-yn-3-yloxysilane

heptoxy-dimethyl-non-5-yn-3-yloxysilane (PubChem CID 91736746) has the molecular formula C18H36O2Si and a molecular weight of 312.57 g/mol. Its IUPAC name is heptoxy-dimethyl-non-5-yn-3-yloxysilane.

Molecular Properties

Compound Nameheptoxy-dimethyl-non-5-yn-3-yloxysilane
PubChem CID91736746
Molecular FormulaC18H36O2Si
Molecular Weight312.57 g/mol
Exact Mass312.25
IUPAC Nameheptoxy-dimethyl-non-5-yn-3-yloxysilane
SMILESCCCC#CCC(CC)O[Si](C)(C)OCCCCCCC
InChIInChI=1S/C18H36O2Si/c1-6-9-11-13-15-17-19-21(4,5)20-18(8-3)16-14-12-10-7-2/h18H,6-11,13,15-17H2,1-5H3
InChIKeyCUWLGAPEZXODPK-UHFFFAOYSA-N
XLogP5.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.57
LogP ≤ 55.66
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, dimethyldi(2-octyloxy)-
CID 85708223
Diheptyloxydimethylsilane
CID 525743
Silane, dimethyldi(2-heptyloxy)-
CID 85694061
3-Trimethylsilyloxy-1-octyne
CID 12581365
3-Dimethylsilyloxypentadecane
CID 6328887
tert-butyl-dimethyl-[(3R)-undec-1-yn-3-yl]oxysilane
CID 10968002
7-Trimethylsilyloxytetradecane
CID 518579
Silane, dimethyl(dodec-9-ynyloxy)propoxy-
CID 91697246
Silane, dimethyl(dodec-9-ynyloxy)ethoxy-
CID 91703734
1,7-Di(dodec-9-ynyl)-2,2,4,4,6,6-hexamethyl-1,3,5,7-tetraoxa-2,4,6-trisilaheptane
CID 91704494
Silane, dimethyl(2-decyloxy)ethoxy-
CID 91719384
Silane, dimethyldimethyl((dodec-9-ynyloxy)silyloxy)pentyloxy-
CID 91721104

Frequently Asked Questions

What is the IUPAC name of heptoxy-dimethyl-non-5-yn-3-yloxysilane?
The IUPAC name of heptoxy-dimethyl-non-5-yn-3-yloxysilane (CID 91736746) is heptoxy-dimethyl-non-5-yn-3-yloxysilane.
What is the SMILES notation for heptoxy-dimethyl-non-5-yn-3-yloxysilane?
The canonical SMILES for heptoxy-dimethyl-non-5-yn-3-yloxysilane is CCCC#CCC(CC)O[Si](C)(C)OCCCCCCC.
What is the InChIKey of heptoxy-dimethyl-non-5-yn-3-yloxysilane?
The InChIKey is CUWLGAPEZXODPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O2Si/c1-6-9-11-13-15-17-19-21(4,5)20-18(8-3)16-14-12-10-7-2/h18H,6-11,13,15-17H2,1-5H3.
What are the key properties of heptoxy-dimethyl-non-5-yn-3-yloxysilane?
heptoxy-dimethyl-non-5-yn-3-yloxysilane has a molecular weight of 312.57 g/mol, XLogP of 5.66, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for heptoxy-dimethyl-non-5-yn-3-yloxysilane is sourced from PubChem (CID 91736746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).