(1,1-dideuterio-7,11,15-trimethyl-3-methylidene-1-trimethylsilyloxyhexadecan-2-yl)oxy-trimethylsilane

C26H56O2Si2 — CID 102207660

IUPAC(1,1-dideuterio-7,11,15-trimethyl-3-methylidene-1-trimethylsilyloxyhexadecan-2-yl)oxy-trimethylsilane
SMILES[2H]C([2H])(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=C)CCCC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C26H56O2Si2/c1-22(2)15-12-16-23(3)17-13-18-24(4)19-14-20-25(5)26(28-30(9,10)11)21-27-29(6,7)8/h22-24,26H,5,12-21H2,1-4,6-11H3/i21D2
InChIKeyLXSVRYWPQKHOQD-GQZVJHRESA-N
MW458.92 g/mol
LogP9.05
Rot. Bonds18

About (1,1-dideuterio-7,11,15-trimethyl-3-methylidene-1-trimethylsilyloxyhexadecan-2-yl)oxy-trimethylsilane

(1,1-dideuterio-7,11,15-trimethyl-3-methylidene-1-trimethylsilyloxyhexadecan-2-yl)oxy-trimethylsilane (PubChem CID 102207660) has the molecular formula C26H56O2Si2 and a molecular weight of 458.92 g/mol. Its IUPAC name is (1,1-dideuterio-7,11,15-trimethyl-3-methylidene-1-trimethylsilyloxyhexadecan-2-yl)oxy-trimethylsilane.

Molecular Properties

Compound Name(1,1-dideuterio-7,11,15-trimethyl-3-methylidene-1-trimethylsilyloxyhexadecan-2-yl)oxy-trimethylsilane
PubChem CID102207660
Molecular FormulaC26H56O2Si2
Molecular Weight458.92 g/mol
Exact Mass458.39
IUPAC Name(1,1-dideuterio-7,11,15-trimethyl-3-methylidene-1-trimethylsilyloxyhexadecan-2-yl)oxy-trimethylsilane
SMILES[2H]C([2H])(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=C)CCCC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C26H56O2Si2/c1-22(2)15-12-16-23(3)17-13-18-24(4)19-14-20-25(5)26(28-30(9,10)11)21-27-29(6,7)8/h22-24,26H,5,12-21H2,1-4,6-11H3/i21D2
InChIKeyLXSVRYWPQKHOQD-GQZVJHRESA-N
XLogP9.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.92
LogP ≤ 59.05
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'}

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Frequently Asked Questions

What is the IUPAC name of (1,1-dideuterio-7,11,15-trimethyl-3-methylidene-1-trimethylsilyloxyhexadecan-2-yl)oxy-trimethylsilane?
The IUPAC name of (1,1-dideuterio-7,11,15-trimethyl-3-methylidene-1-trimethylsilyloxyhexadecan-2-yl)oxy-trimethylsilane (CID 102207660) is (1,1-dideuterio-7,11,15-trimethyl-3-methylidene-1-trimethylsilyloxyhexadecan-2-yl)oxy-trimethylsilane.
What is the SMILES notation for (1,1-dideuterio-7,11,15-trimethyl-3-methylidene-1-trimethylsilyloxyhexadecan-2-yl)oxy-trimethylsilane?
The canonical SMILES for (1,1-dideuterio-7,11,15-trimethyl-3-methylidene-1-trimethylsilyloxyhexadecan-2-yl)oxy-trimethylsilane is [2H]C([2H])(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=C)CCCC(C)CCCC(C)CCCC(C)C.
What is the InChIKey of (1,1-dideuterio-7,11,15-trimethyl-3-methylidene-1-trimethylsilyloxyhexadecan-2-yl)oxy-trimethylsilane?
The InChIKey is LXSVRYWPQKHOQD-GQZVJHRESA-N. The full InChI is InChI=1S/C26H56O2Si2/c1-22(2)15-12-16-23(3)17-13-18-24(4)19-14-20-25(5)26(28-30(9,10)11)21-27-29(6,7)8/h22-24,26H,5,12-21H2,1-4,6-11H3/i21D2.
What are the key properties of (1,1-dideuterio-7,11,15-trimethyl-3-methylidene-1-trimethylsilyloxyhexadecan-2-yl)oxy-trimethylsilane?
(1,1-dideuterio-7,11,15-trimethyl-3-methylidene-1-trimethylsilyloxyhexadecan-2-yl)oxy-trimethylsilane has a molecular weight of 458.92 g/mol, XLogP of 9.05, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dideuterio-7,11,15-trimethyl-3-methylidene-1-trimethylsilyloxyhexadecan-2-yl)oxy-trimethylsilane is sourced from PubChem (CID 102207660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).