(12,12-dimethoxy-2,2,4,4,6,6,8,8-octamethyldodecyl)-dimethoxy-methylsilane

C25H54O4Si — CID 54228663

IUPAC(12,12-dimethoxy-2,2,4,4,6,6,8,8-octamethyldodecyl)-dimethoxy-methylsilane
SMILESCOC(CCCC(C)(C)CC(C)(C)CC(C)(C)CC(C)(C)C[Si](C)(OC)OC)OC
InChIInChI=1S/C25H54O4Si/c1-22(2,16-14-15-21(26-9)27-10)17-23(3,4)18-24(5,6)19-25(7,8)20-30(13,28-11)29-12/h21H,14-20H2,1-13H3
InChIKeyQHQQAXYFFLMLNZ-UHFFFAOYSA-N
MW446.79 g/mol
LogP7.42
Rot. Bonds16

About (12,12-dimethoxy-2,2,4,4,6,6,8,8-octamethyldodecyl)-dimethoxy-methylsilane

(12,12-dimethoxy-2,2,4,4,6,6,8,8-octamethyldodecyl)-dimethoxy-methylsilane (PubChem CID 54228663) has the molecular formula C25H54O4Si and a molecular weight of 446.79 g/mol. Its IUPAC name is (12,12-dimethoxy-2,2,4,4,6,6,8,8-octamethyldodecyl)-dimethoxy-methylsilane.

Molecular Properties

Compound Name(12,12-dimethoxy-2,2,4,4,6,6,8,8-octamethyldodecyl)-dimethoxy-methylsilane
PubChem CID54228663
Molecular FormulaC25H54O4Si
Molecular Weight446.79 g/mol
Exact Mass446.38
IUPAC Name(12,12-dimethoxy-2,2,4,4,6,6,8,8-octamethyldodecyl)-dimethoxy-methylsilane
SMILESCOC(CCCC(C)(C)CC(C)(C)CC(C)(C)CC(C)(C)C[Si](C)(OC)OC)OC
InChIInChI=1S/C25H54O4Si/c1-22(2,16-14-15-21(26-9)27-10)17-23(3,4)18-24(5,6)19-25(7,8)20-30(13,28-11)29-12/h21H,14-20H2,1-13H3
InChIKeyQHQQAXYFFLMLNZ-UHFFFAOYSA-N
XLogP7.42
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.79
LogP ≤ 57.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[11-[dimethoxy(methyl)silyl]-2,2,4,4,6,6,8,8-octamethylundecyl]-dimethoxy-methylsilane;methane
CID 160772440
[6-[4-[7-[dimethoxy(methyl)silyl]-2,4,4-trimethylheptan-2-yl]phenyl]-4,4,6-trimethylheptyl]-dimethoxy-methylsilane
CID 58760845
12,12-dimethoxydodecan-1-ol
CID 71412944
4,4-dimethoxybutylsilane
CID 123239854
2,2-dimethylpropyl-dimethoxy-methylsilane;bis(2,2-dimethylpropyl-methoxy-dimethylsilane)
CID 158586666
1,1-dimethoxytetradecane
CID 13265409
1,1,21,21-tetramethoxy-11-methylhenicosane
CID 151305042
CID 87143887
CID 87143887
2-(6,6-dimethyloctan-2-yloxy)-6,6-dimethyloctane
CID 57197870
(E)-1-iodo-6,6-dimethoxyhex-1-ene
CID 135030004
1-(6-chloro-5-methyl-3-pyridinyl)-3-(6,6-dimethoxy-2,2-dimethylhexyl)urea
CID 100767537
(2S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-12,12-dimethoxydodec-3-yn-6-ol
CID 10894040

Frequently Asked Questions

What is the IUPAC name of (12,12-dimethoxy-2,2,4,4,6,6,8,8-octamethyldodecyl)-dimethoxy-methylsilane?
The IUPAC name of (12,12-dimethoxy-2,2,4,4,6,6,8,8-octamethyldodecyl)-dimethoxy-methylsilane (CID 54228663) is (12,12-dimethoxy-2,2,4,4,6,6,8,8-octamethyldodecyl)-dimethoxy-methylsilane.
What is the SMILES notation for (12,12-dimethoxy-2,2,4,4,6,6,8,8-octamethyldodecyl)-dimethoxy-methylsilane?
The canonical SMILES for (12,12-dimethoxy-2,2,4,4,6,6,8,8-octamethyldodecyl)-dimethoxy-methylsilane is COC(CCCC(C)(C)CC(C)(C)CC(C)(C)CC(C)(C)C[Si](C)(OC)OC)OC.
What is the InChIKey of (12,12-dimethoxy-2,2,4,4,6,6,8,8-octamethyldodecyl)-dimethoxy-methylsilane?
The InChIKey is QHQQAXYFFLMLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H54O4Si/c1-22(2,16-14-15-21(26-9)27-10)17-23(3,4)18-24(5,6)19-25(7,8)20-30(13,28-11)29-12/h21H,14-20H2,1-13H3.
What are the key properties of (12,12-dimethoxy-2,2,4,4,6,6,8,8-octamethyldodecyl)-dimethoxy-methylsilane?
(12,12-dimethoxy-2,2,4,4,6,6,8,8-octamethyldodecyl)-dimethoxy-methylsilane has a molecular weight of 446.79 g/mol, XLogP of 7.42, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (12,12-dimethoxy-2,2,4,4,6,6,8,8-octamethyldodecyl)-dimethoxy-methylsilane is sourced from PubChem (CID 54228663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).