trimethyl-[7-(oxan-2-yloxy)hept-3-en-1,5-diynyl]silane

C15H22O2Si — CID 54246246

IUPACtrimethyl-[7-(oxan-2-yloxy)hept-3-en-1,5-diynyl]silane
SMILESC[Si](C)(C)C#CC=CC#CCOC1CCCCO1
InChIInChI=1S/C15H22O2Si/c1-18(2,3)14-10-6-4-5-8-12-16-15-11-7-9-13-17-15/h4,6,15H,7,9,11-13H2,1-3H3
InChIKeyQTMAAJCJMPYBBG-UHFFFAOYSA-N
MW262.42 g/mol
LogP2.97
Rot. Bonds2

About trimethyl-[7-(oxan-2-yloxy)hept-3-en-1,5-diynyl]silane

trimethyl-[7-(oxan-2-yloxy)hept-3-en-1,5-diynyl]silane (PubChem CID 54246246) has the molecular formula C15H22O2Si and a molecular weight of 262.42 g/mol. Its IUPAC name is trimethyl-[7-(oxan-2-yloxy)hept-3-en-1,5-diynyl]silane.

Molecular Properties

Compound Nametrimethyl-[7-(oxan-2-yloxy)hept-3-en-1,5-diynyl]silane
PubChem CID54246246
Molecular FormulaC15H22O2Si
Molecular Weight262.42 g/mol
Exact Mass262.14
IUPAC Nametrimethyl-[7-(oxan-2-yloxy)hept-3-en-1,5-diynyl]silane
SMILESC[Si](C)(C)C#CC=CC#CCOC1CCCCO1
InChIInChI=1S/C15H22O2Si/c1-18(2,3)14-10-6-4-5-8-12-16-15-11-7-9-13-17-15/h4,6,15H,7,9,11-13H2,1-3H3
InChIKeyQTMAAJCJMPYBBG-UHFFFAOYSA-N
XLogP2.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[7-(oxan-2-yloxy)hept-3-en-1,5-diynyl]silane?
The IUPAC name of trimethyl-[7-(oxan-2-yloxy)hept-3-en-1,5-diynyl]silane (CID 54246246) is trimethyl-[7-(oxan-2-yloxy)hept-3-en-1,5-diynyl]silane.
What is the SMILES notation for trimethyl-[7-(oxan-2-yloxy)hept-3-en-1,5-diynyl]silane?
The canonical SMILES for trimethyl-[7-(oxan-2-yloxy)hept-3-en-1,5-diynyl]silane is C[Si](C)(C)C#CC=CC#CCOC1CCCCO1.
What is the InChIKey of trimethyl-[7-(oxan-2-yloxy)hept-3-en-1,5-diynyl]silane?
The InChIKey is QTMAAJCJMPYBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2Si/c1-18(2,3)14-10-6-4-5-8-12-16-15-11-7-9-13-17-15/h4,6,15H,7,9,11-13H2,1-3H3.
What are the key properties of trimethyl-[7-(oxan-2-yloxy)hept-3-en-1,5-diynyl]silane?
trimethyl-[7-(oxan-2-yloxy)hept-3-en-1,5-diynyl]silane has a molecular weight of 262.42 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[7-(oxan-2-yloxy)hept-3-en-1,5-diynyl]silane is sourced from PubChem (CID 54246246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).