2-[(2E,4E)-3-methyl-5-(1-methylsiletan-1-yl)penta-2,4-dienoxy]oxane

C15H26O2Si — CID 102278844

IUPAC2-[(2E,4E)-3-methyl-5-(1-methylsiletan-1-yl)penta-2,4-dienoxy]oxane
SMILESCC(/C=C/[Si]1(C)CCC1)=C\COC1CCCCO1
InChIInChI=1S/C15H26O2Si/c1-14(8-13-18(2)11-5-12-18)7-10-17-15-6-3-4-9-16-15/h7-8,13,15H,3-6,9-12H2,1-2H3/b13-8+,14-7+
InChIKeyHONCXURHZKQFSQ-CCLLZULESA-N
MW266.46 g/mol
LogP4.05
Rot. Bonds5

About 2-[(2E,4E)-3-methyl-5-(1-methylsiletan-1-yl)penta-2,4-dienoxy]oxane

2-[(2E,4E)-3-methyl-5-(1-methylsiletan-1-yl)penta-2,4-dienoxy]oxane (PubChem CID 102278844) has the molecular formula C15H26O2Si and a molecular weight of 266.46 g/mol. Its IUPAC name is 2-[(2E,4E)-3-methyl-5-(1-methylsiletan-1-yl)penta-2,4-dienoxy]oxane.

Molecular Properties

Compound Name2-[(2E,4E)-3-methyl-5-(1-methylsiletan-1-yl)penta-2,4-dienoxy]oxane
PubChem CID102278844
Molecular FormulaC15H26O2Si
Molecular Weight266.46 g/mol
Exact Mass266.17
IUPAC Name2-[(2E,4E)-3-methyl-5-(1-methylsiletan-1-yl)penta-2,4-dienoxy]oxane
SMILESCC(/C=C/[Si]1(C)CCC1)=C\COC1CCCCO1
InChIInChI=1S/C15H26O2Si/c1-14(8-13-18(2)11-5-12-18)7-10-17-15-6-3-4-9-16-15/h7-8,13,15H,3-6,9-12H2,1-2H3/b13-8+,14-7+
InChIKeyHONCXURHZKQFSQ-CCLLZULESA-N
XLogP4.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.46
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(2E,4Z)-5-butyltellanyl-3-methylpenta-2,4-dienoxy]oxane
CID 10522891
trimethyl-[(2E)-4-(oxan-2-yloxymethyl)penta-2,4-dienyl]silane
CID 134991453
2-(2-Ethenylbut-2-enoxy)oxane
CID 54469177
2-(3-Methylpenta-2,4-dienoxy)oxane
CID 54496034
ethoxy-dimethyl-[(1E,3E)-3-methyl-5-(oxan-2-yloxy)penta-1,3-dienyl]silane
CID 25191801
tert-butyl-dimethyl-[(E)-4-(oxan-2-yloxy)but-2-enoxy]silane
CID 100951994
tert-butyl-dimethyl-[(Z)-4-(oxan-2-yloxy)but-2-enoxy]silane
CID 101054975
hydroxy-dimethyl-[(1E,3E)-3-methyl-5-(oxan-2-yloxy)penta-1,3-dienyl]silane
CID 102278843
2-[(2E,4Z)-3-methyl-5-(1-methylsiletan-1-yl)penta-2,4-dienoxy]oxane
CID 102278848
2-[(2E)-3-methylpenta-2,4-dienoxy]oxane
CID 121223982
CID 136719157
CID 136719157
CID 136719158
CID 136719158

Frequently Asked Questions

What is the IUPAC name of 2-[(2E,4E)-3-methyl-5-(1-methylsiletan-1-yl)penta-2,4-dienoxy]oxane?
The IUPAC name of 2-[(2E,4E)-3-methyl-5-(1-methylsiletan-1-yl)penta-2,4-dienoxy]oxane (CID 102278844) is 2-[(2E,4E)-3-methyl-5-(1-methylsiletan-1-yl)penta-2,4-dienoxy]oxane.
What is the SMILES notation for 2-[(2E,4E)-3-methyl-5-(1-methylsiletan-1-yl)penta-2,4-dienoxy]oxane?
The canonical SMILES for 2-[(2E,4E)-3-methyl-5-(1-methylsiletan-1-yl)penta-2,4-dienoxy]oxane is CC(/C=C/[Si]1(C)CCC1)=C\COC1CCCCO1.
What is the InChIKey of 2-[(2E,4E)-3-methyl-5-(1-methylsiletan-1-yl)penta-2,4-dienoxy]oxane?
The InChIKey is HONCXURHZKQFSQ-CCLLZULESA-N. The full InChI is InChI=1S/C15H26O2Si/c1-14(8-13-18(2)11-5-12-18)7-10-17-15-6-3-4-9-16-15/h7-8,13,15H,3-6,9-12H2,1-2H3/b13-8+,14-7+.
What are the key properties of 2-[(2E,4E)-3-methyl-5-(1-methylsiletan-1-yl)penta-2,4-dienoxy]oxane?
2-[(2E,4E)-3-methyl-5-(1-methylsiletan-1-yl)penta-2,4-dienoxy]oxane has a molecular weight of 266.46 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E,4E)-3-methyl-5-(1-methylsiletan-1-yl)penta-2,4-dienoxy]oxane is sourced from PubChem (CID 102278844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).