heptoxy-dimethyl-(2-methyloct-5-yn-4-yloxy)silane

C18H36O2Si — CID 91738892

IUPACheptoxy-dimethyl-(2-methyloct-5-yn-4-yloxy)silane
SMILESCCC#CC(CC(C)C)O[Si](C)(C)OCCCCCCC
InChIInChI=1S/C18H36O2Si/c1-7-9-11-12-13-15-19-21(5,6)20-18(14-10-8-2)16-17(3)4/h17-18H,7-9,11-13,15-16H2,1-6H3
InChIKeyFAFPJHPUMNYJAC-UHFFFAOYSA-N
MW312.57 g/mol
LogP5.52
Rot. Bonds11

About heptoxy-dimethyl-(2-methyloct-5-yn-4-yloxy)silane

heptoxy-dimethyl-(2-methyloct-5-yn-4-yloxy)silane (PubChem CID 91738892) has the molecular formula C18H36O2Si and a molecular weight of 312.57 g/mol. Its IUPAC name is heptoxy-dimethyl-(2-methyloct-5-yn-4-yloxy)silane.

Molecular Properties

Compound Nameheptoxy-dimethyl-(2-methyloct-5-yn-4-yloxy)silane
PubChem CID91738892
Molecular FormulaC18H36O2Si
Molecular Weight312.57 g/mol
Exact Mass312.25
IUPAC Nameheptoxy-dimethyl-(2-methyloct-5-yn-4-yloxy)silane
SMILESCCC#CC(CC(C)C)O[Si](C)(C)OCCCCCCC
InChIInChI=1S/C18H36O2Si/c1-7-9-11-12-13-15-19-21(5,6)20-18(14-10-8-2)16-17(3)4/h17-18H,7-9,11-13,15-16H2,1-6H3
InChIKeyFAFPJHPUMNYJAC-UHFFFAOYSA-N
XLogP5.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.57
LogP ≤ 55.52
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

4-Dimethyloctylsilyloxy-2-methyloct-5-yne
CID 531297
2-Methyl-4-trihexylsilyloxyoct-5-yne
CID 531318
4-Dimethyldodecylsilyloxy-2-methyloct-5-yne
CID 531347
Silane, dimethyl(3-heptyloxy)isohexyloxy-
CID 91698390
Silane, dimethyl(dodec-9-ynyloxy)isohexyloxy-
CID 91698392
Silane, diethylisohexyloxy(2-octyloxy)-
CID 91698413
Silane, dimethyl(2-decyloxy)isobutoxy-
CID 91726677
Silane, dimethyl(2-decyloxy)isohexyloxy-
CID 91733279
Silane, dimethyl(2-heptyloxy)isohexyloxy-
CID 91733284
Silane, dimethyl(2-octyloxy)isohexyloxy-
CID 91733285
Silane, dimethyl(non-5-yn-3-yloxy)hexyloxy-
CID 91735226
Silane, dimethyldi(2-methyloct-5-yn-4-yloxy)-
CID 91735882

Frequently Asked Questions

What is the IUPAC name of heptoxy-dimethyl-(2-methyloct-5-yn-4-yloxy)silane?
The IUPAC name of heptoxy-dimethyl-(2-methyloct-5-yn-4-yloxy)silane (CID 91738892) is heptoxy-dimethyl-(2-methyloct-5-yn-4-yloxy)silane.
What is the SMILES notation for heptoxy-dimethyl-(2-methyloct-5-yn-4-yloxy)silane?
The canonical SMILES for heptoxy-dimethyl-(2-methyloct-5-yn-4-yloxy)silane is CCC#CC(CC(C)C)O[Si](C)(C)OCCCCCCC.
What is the InChIKey of heptoxy-dimethyl-(2-methyloct-5-yn-4-yloxy)silane?
The InChIKey is FAFPJHPUMNYJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O2Si/c1-7-9-11-12-13-15-19-21(5,6)20-18(14-10-8-2)16-17(3)4/h17-18H,7-9,11-13,15-16H2,1-6H3.
What are the key properties of heptoxy-dimethyl-(2-methyloct-5-yn-4-yloxy)silane?
heptoxy-dimethyl-(2-methyloct-5-yn-4-yloxy)silane has a molecular weight of 312.57 g/mol, XLogP of 5.52, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for heptoxy-dimethyl-(2-methyloct-5-yn-4-yloxy)silane is sourced from PubChem (CID 91738892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).