trimethyl-[9-methyl-5-(oxan-4-yloxy)deca-3,5,9-trien-1-ynyl]silane

C19H30O2Si — CID 123186385

IUPACtrimethyl-[9-methyl-5-(oxan-4-yloxy)deca-3,5,9-trien-1-ynyl]silane
SMILESC=C(C)CCC=C(C=CC#C[Si](C)(C)C)OC1CCOCC1
InChIInChI=1S/C19H30O2Si/c1-17(2)9-8-11-18(10-6-7-16-22(3,4)5)21-19-12-14-20-15-13-19/h6,10-11,19H,1,8-9,12-15H2,2-5H3
InChIKeyJUDSQOBZURSYFY-UHFFFAOYSA-N
MW318.53 g/mol
LogP4.86
Rot. Bonds6

About trimethyl-[9-methyl-5-(oxan-4-yloxy)deca-3,5,9-trien-1-ynyl]silane

trimethyl-[9-methyl-5-(oxan-4-yloxy)deca-3,5,9-trien-1-ynyl]silane (PubChem CID 123186385) has the molecular formula C19H30O2Si and a molecular weight of 318.53 g/mol. Its IUPAC name is trimethyl-[9-methyl-5-(oxan-4-yloxy)deca-3,5,9-trien-1-ynyl]silane.

Molecular Properties

Compound Nametrimethyl-[9-methyl-5-(oxan-4-yloxy)deca-3,5,9-trien-1-ynyl]silane
PubChem CID123186385
Molecular FormulaC19H30O2Si
Molecular Weight318.53 g/mol
Exact Mass318.20
IUPAC Nametrimethyl-[9-methyl-5-(oxan-4-yloxy)deca-3,5,9-trien-1-ynyl]silane
SMILESC=C(C)CCC=C(C=CC#C[Si](C)(C)C)OC1CCOCC1
InChIInChI=1S/C19H30O2Si/c1-17(2)9-8-11-18(10-6-7-16-22(3,4)5)21-19-12-14-20-15-13-19/h6,10-11,19H,1,8-9,12-15H2,2-5H3
InChIKeyJUDSQOBZURSYFY-UHFFFAOYSA-N
XLogP4.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.53
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-[(E)-6-(3,4-dihydro-2H-pyran-6-yl)hex-5-enoxy]-dimethylsilane
CID 139254024

Frequently Asked Questions

What is the IUPAC name of trimethyl-[9-methyl-5-(oxan-4-yloxy)deca-3,5,9-trien-1-ynyl]silane?
The IUPAC name of trimethyl-[9-methyl-5-(oxan-4-yloxy)deca-3,5,9-trien-1-ynyl]silane (CID 123186385) is trimethyl-[9-methyl-5-(oxan-4-yloxy)deca-3,5,9-trien-1-ynyl]silane.
What is the SMILES notation for trimethyl-[9-methyl-5-(oxan-4-yloxy)deca-3,5,9-trien-1-ynyl]silane?
The canonical SMILES for trimethyl-[9-methyl-5-(oxan-4-yloxy)deca-3,5,9-trien-1-ynyl]silane is C=C(C)CCC=C(C=CC#C[Si](C)(C)C)OC1CCOCC1.
What is the InChIKey of trimethyl-[9-methyl-5-(oxan-4-yloxy)deca-3,5,9-trien-1-ynyl]silane?
The InChIKey is JUDSQOBZURSYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O2Si/c1-17(2)9-8-11-18(10-6-7-16-22(3,4)5)21-19-12-14-20-15-13-19/h6,10-11,19H,1,8-9,12-15H2,2-5H3.
What are the key properties of trimethyl-[9-methyl-5-(oxan-4-yloxy)deca-3,5,9-trien-1-ynyl]silane?
trimethyl-[9-methyl-5-(oxan-4-yloxy)deca-3,5,9-trien-1-ynyl]silane has a molecular weight of 318.53 g/mol, XLogP of 4.86, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[9-methyl-5-(oxan-4-yloxy)deca-3,5,9-trien-1-ynyl]silane is sourced from PubChem (CID 123186385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).