tert-butyl-[(5S,6R)-6-ethynyldec-9-en-1-yn-5-yl]oxy-dimethylsilane

C18H30OSi — CID 162406243

IUPACtert-butyl-[(5S,6R)-6-ethynyldec-9-en-1-yn-5-yl]oxy-dimethylsilane
SMILESC#CCC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C#C)CCC=C
InChIInChI=1S/C18H30OSi/c1-9-12-14-16(11-3)17(15-13-10-2)19-20(7,8)18(4,5)6/h2-3,9,16-17H,1,12-15H2,4-8H3/t16-,17-/m0/s1
InChIKeyBFVSRQVJMOFJBU-IRXDYDNUSA-N
MW290.52 g/mol
LogP5.01
Rot. Bonds8

About tert-butyl-[(5S,6R)-6-ethynyldec-9-en-1-yn-5-yl]oxy-dimethylsilane

tert-butyl-[(5S,6R)-6-ethynyldec-9-en-1-yn-5-yl]oxy-dimethylsilane (PubChem CID 162406243) has the molecular formula C18H30OSi and a molecular weight of 290.52 g/mol. Its IUPAC name is tert-butyl-[(5S,6R)-6-ethynyldec-9-en-1-yn-5-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(5S,6R)-6-ethynyldec-9-en-1-yn-5-yl]oxy-dimethylsilane
PubChem CID162406243
Molecular FormulaC18H30OSi
Molecular Weight290.52 g/mol
Exact Mass290.21
IUPAC Nametert-butyl-[(5S,6R)-6-ethynyldec-9-en-1-yn-5-yl]oxy-dimethylsilane
SMILESC#CCC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C#C)CCC=C
InChIInChI=1S/C18H30OSi/c1-9-12-14-16(11-3)17(15-13-10-2)19-20(7,8)18(4,5)6/h2-3,9,16-17H,1,12-15H2,4-8H3/t16-,17-/m0/s1
InChIKeyBFVSRQVJMOFJBU-IRXDYDNUSA-N
XLogP5.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.52
LogP ≤ 55.01
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'}

Analyze tert-butyl-[(5S,6R)-6-ethynyldec-9-en-1-yn-5-yl]oxy-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(5S,6R)-6-ethynyldec-9-en-1-yn-5-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(5S,6R)-6-ethynyldec-9-en-1-yn-5-yl]oxy-dimethylsilane (CID 162406243) is tert-butyl-[(5S,6R)-6-ethynyldec-9-en-1-yn-5-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(5S,6R)-6-ethynyldec-9-en-1-yn-5-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(5S,6R)-6-ethynyldec-9-en-1-yn-5-yl]oxy-dimethylsilane is C#CCC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C#C)CCC=C.
What is the InChIKey of tert-butyl-[(5S,6R)-6-ethynyldec-9-en-1-yn-5-yl]oxy-dimethylsilane?
The InChIKey is BFVSRQVJMOFJBU-IRXDYDNUSA-N. The full InChI is InChI=1S/C18H30OSi/c1-9-12-14-16(11-3)17(15-13-10-2)19-20(7,8)18(4,5)6/h2-3,9,16-17H,1,12-15H2,4-8H3/t16-,17-/m0/s1.
What are the key properties of tert-butyl-[(5S,6R)-6-ethynyldec-9-en-1-yn-5-yl]oxy-dimethylsilane?
tert-butyl-[(5S,6R)-6-ethynyldec-9-en-1-yn-5-yl]oxy-dimethylsilane has a molecular weight of 290.52 g/mol, XLogP of 5.01, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(5S,6R)-6-ethynyldec-9-en-1-yn-5-yl]oxy-dimethylsilane is sourced from PubChem (CID 162406243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).