tert-butyl-[(3S,5S)-5,9-dimethyldec-8-en-1-yn-3-yl]oxy-dimethylsilane

C18H34OSi — CID 15672913

IUPACtert-butyl-[(3S,5S)-5,9-dimethyldec-8-en-1-yn-3-yl]oxy-dimethylsilane
SMILESC#C[C@H](C[C@@H](C)CCC=C(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H34OSi/c1-10-17(19-20(8,9)18(5,6)7)14-16(4)13-11-12-15(2)3/h1,12,16-17H,11,13-14H2,2-9H3/t16-,17+/m0/s1
InChIKeyPNDZMPNMXSAJCA-DLBZAZTESA-N
MW294.56 g/mol
LogP5.78
Rot. Bonds7

About tert-butyl-[(3S,5S)-5,9-dimethyldec-8-en-1-yn-3-yl]oxy-dimethylsilane

tert-butyl-[(3S,5S)-5,9-dimethyldec-8-en-1-yn-3-yl]oxy-dimethylsilane (PubChem CID 15672913) has the molecular formula C18H34OSi and a molecular weight of 294.56 g/mol. Its IUPAC name is tert-butyl-[(3S,5S)-5,9-dimethyldec-8-en-1-yn-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3S,5S)-5,9-dimethyldec-8-en-1-yn-3-yl]oxy-dimethylsilane
PubChem CID15672913
Molecular FormulaC18H34OSi
Molecular Weight294.56 g/mol
Exact Mass294.24
IUPAC Nametert-butyl-[(3S,5S)-5,9-dimethyldec-8-en-1-yn-3-yl]oxy-dimethylsilane
SMILESC#C[C@H](C[C@@H](C)CCC=C(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H34OSi/c1-10-17(19-20(8,9)18(5,6)7)14-16(4)13-11-12-15(2)3/h1,12,16-17H,11,13-14H2,2-9H3/t16-,17+/m0/s1
InChIKeyPNDZMPNMXSAJCA-DLBZAZTESA-N
XLogP5.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.56
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3S,5S)-5,9-dimethyldec-8-en-1-yn-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(3S,5S)-5,9-dimethyldec-8-en-1-yn-3-yl]oxy-dimethylsilane (CID 15672913) is tert-butyl-[(3S,5S)-5,9-dimethyldec-8-en-1-yn-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3S,5S)-5,9-dimethyldec-8-en-1-yn-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(3S,5S)-5,9-dimethyldec-8-en-1-yn-3-yl]oxy-dimethylsilane is C#C[C@H](C[C@@H](C)CCC=C(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(3S,5S)-5,9-dimethyldec-8-en-1-yn-3-yl]oxy-dimethylsilane?
The InChIKey is PNDZMPNMXSAJCA-DLBZAZTESA-N. The full InChI is InChI=1S/C18H34OSi/c1-10-17(19-20(8,9)18(5,6)7)14-16(4)13-11-12-15(2)3/h1,12,16-17H,11,13-14H2,2-9H3/t16-,17+/m0/s1.
What are the key properties of tert-butyl-[(3S,5S)-5,9-dimethyldec-8-en-1-yn-3-yl]oxy-dimethylsilane?
tert-butyl-[(3S,5S)-5,9-dimethyldec-8-en-1-yn-3-yl]oxy-dimethylsilane has a molecular weight of 294.56 g/mol, XLogP of 5.78, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3S,5S)-5,9-dimethyldec-8-en-1-yn-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 15672913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).