trimethyl-[(E)-3-(oxan-2-yloxy)non-5-en-1-ynyl]silane

C17H30O2Si — CID 66874183

IUPACtrimethyl-[(E)-3-(oxan-2-yloxy)non-5-en-1-ynyl]silane
SMILESCCC/C=C/CC(C#C[Si](C)(C)C)OC1CCCCO1
InChIInChI=1S/C17H30O2Si/c1-5-6-7-8-11-16(13-15-20(2,3)4)19-17-12-9-10-14-18-17/h7-8,16-17H,5-6,9-12,14H2,1-4H3/b8-7+
InChIKeyDESIMDPFLFMORF-BQYQJAHWSA-N
MW294.51 g/mol
LogP4.53
Rot. Bonds6

About trimethyl-[(E)-3-(oxan-2-yloxy)non-5-en-1-ynyl]silane

trimethyl-[(E)-3-(oxan-2-yloxy)non-5-en-1-ynyl]silane (PubChem CID 66874183) has the molecular formula C17H30O2Si and a molecular weight of 294.51 g/mol. Its IUPAC name is trimethyl-[(E)-3-(oxan-2-yloxy)non-5-en-1-ynyl]silane.

Molecular Properties

Compound Nametrimethyl-[(E)-3-(oxan-2-yloxy)non-5-en-1-ynyl]silane
PubChem CID66874183
Molecular FormulaC17H30O2Si
Molecular Weight294.51 g/mol
Exact Mass294.20
IUPAC Nametrimethyl-[(E)-3-(oxan-2-yloxy)non-5-en-1-ynyl]silane
SMILESCCC/C=C/CC(C#C[Si](C)(C)C)OC1CCCCO1
InChIInChI=1S/C17H30O2Si/c1-5-6-7-8-11-16(13-15-20(2,3)4)19-17-12-9-10-14-18-17/h7-8,16-17H,5-6,9-12,14H2,1-4H3/b8-7+
InChIKeyDESIMDPFLFMORF-BQYQJAHWSA-N
XLogP4.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.51
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 trimethyl-[(E)-3-(oxan-2-yloxy)non-5-en-1-ynyl]silane 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 trimethyl-[(E)-3-(oxan-2-yloxy)non-5-en-1-ynyl]silane?
The IUPAC name of trimethyl-[(E)-3-(oxan-2-yloxy)non-5-en-1-ynyl]silane (CID 66874183) is trimethyl-[(E)-3-(oxan-2-yloxy)non-5-en-1-ynyl]silane.
What is the SMILES notation for trimethyl-[(E)-3-(oxan-2-yloxy)non-5-en-1-ynyl]silane?
The canonical SMILES for trimethyl-[(E)-3-(oxan-2-yloxy)non-5-en-1-ynyl]silane is CCC/C=C/CC(C#C[Si](C)(C)C)OC1CCCCO1.
What is the InChIKey of trimethyl-[(E)-3-(oxan-2-yloxy)non-5-en-1-ynyl]silane?
The InChIKey is DESIMDPFLFMORF-BQYQJAHWSA-N. The full InChI is InChI=1S/C17H30O2Si/c1-5-6-7-8-11-16(13-15-20(2,3)4)19-17-12-9-10-14-18-17/h7-8,16-17H,5-6,9-12,14H2,1-4H3/b8-7+.
What are the key properties of trimethyl-[(E)-3-(oxan-2-yloxy)non-5-en-1-ynyl]silane?
trimethyl-[(E)-3-(oxan-2-yloxy)non-5-en-1-ynyl]silane has a molecular weight of 294.51 g/mol, XLogP of 4.53, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(E)-3-(oxan-2-yloxy)non-5-en-1-ynyl]silane is sourced from PubChem (CID 66874183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).