[(3E)-4,8-dimethylnona-1,3,7-trien-2-yl]oxy-tri(propan-2-yl)silane

C20H38OSi — CID 101360283

IUPAC[(3E)-4,8-dimethylnona-1,3,7-trien-2-yl]oxy-tri(propan-2-yl)silane
SMILESC=C(/C=C(\C)CCC=C(C)C)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C20H38OSi/c1-15(2)12-11-13-19(9)14-20(10)21-22(16(3)4,17(5)6)18(7)8/h12,14,16-18H,10-11,13H2,1-9H3/b19-14+
InChIKeyFNADKAHXIGUGNJ-XMHGGMMESA-N
MW322.61 g/mol
LogP7.38
Rot. Bonds9

About [(3E)-4,8-dimethylnona-1,3,7-trien-2-yl]oxy-tri(propan-2-yl)silane

[(3E)-4,8-dimethylnona-1,3,7-trien-2-yl]oxy-tri(propan-2-yl)silane (PubChem CID 101360283) has the molecular formula C20H38OSi and a molecular weight of 322.61 g/mol. Its IUPAC name is [(3E)-4,8-dimethylnona-1,3,7-trien-2-yl]oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(3E)-4,8-dimethylnona-1,3,7-trien-2-yl]oxy-tri(propan-2-yl)silane
PubChem CID101360283
Molecular FormulaC20H38OSi
Molecular Weight322.61 g/mol
Exact Mass322.27
IUPAC Name[(3E)-4,8-dimethylnona-1,3,7-trien-2-yl]oxy-tri(propan-2-yl)silane
SMILESC=C(/C=C(\C)CCC=C(C)C)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C20H38OSi/c1-15(2)12-11-13-19(9)14-20(10)21-22(16(3)4,17(5)6)18(7)8/h12,14,16-18H,10-11,13H2,1-9H3/b19-14+
InChIKeyFNADKAHXIGUGNJ-XMHGGMMESA-N
XLogP7.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.61
LogP ≤ 57.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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'}

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Frequently Asked Questions

What is the IUPAC name of [(3E)-4,8-dimethylnona-1,3,7-trien-2-yl]oxy-tri(propan-2-yl)silane?
The IUPAC name of [(3E)-4,8-dimethylnona-1,3,7-trien-2-yl]oxy-tri(propan-2-yl)silane (CID 101360283) is [(3E)-4,8-dimethylnona-1,3,7-trien-2-yl]oxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(3E)-4,8-dimethylnona-1,3,7-trien-2-yl]oxy-tri(propan-2-yl)silane?
The canonical SMILES for [(3E)-4,8-dimethylnona-1,3,7-trien-2-yl]oxy-tri(propan-2-yl)silane is C=C(/C=C(\C)CCC=C(C)C)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of [(3E)-4,8-dimethylnona-1,3,7-trien-2-yl]oxy-tri(propan-2-yl)silane?
The InChIKey is FNADKAHXIGUGNJ-XMHGGMMESA-N. The full InChI is InChI=1S/C20H38OSi/c1-15(2)12-11-13-19(9)14-20(10)21-22(16(3)4,17(5)6)18(7)8/h12,14,16-18H,10-11,13H2,1-9H3/b19-14+.
What are the key properties of [(3E)-4,8-dimethylnona-1,3,7-trien-2-yl]oxy-tri(propan-2-yl)silane?
[(3E)-4,8-dimethylnona-1,3,7-trien-2-yl]oxy-tri(propan-2-yl)silane has a molecular weight of 322.61 g/mol, XLogP of 7.38, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E)-4,8-dimethylnona-1,3,7-trien-2-yl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 101360283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).