2,2,3,5,6,7,7-heptamethyloctan-4-yl-dimethyl-[(2-methylpropan-2-yl)oxy]silane

C21H46OSi — CID 123525516

IUPAC2,2,3,5,6,7,7-heptamethyloctan-4-yl-dimethyl-[(2-methylpropan-2-yl)oxy]silane
SMILESCC(C(C)C(C)(C)C)C(C(C)C(C)(C)C)[Si](C)(C)OC(C)(C)C
InChIInChI=1S/C21H46OSi/c1-15(16(2)19(4,5)6)18(17(3)20(7,8)9)23(13,14)22-21(10,11)12/h15-18H,1-14H3
InChIKeyACZKHTZGNXZNNW-UHFFFAOYSA-N
MW342.68 g/mol
LogP7.38
Rot. Bonds5

About 2,2,3,5,6,7,7-heptamethyloctan-4-yl-dimethyl-[(2-methylpropan-2-yl)oxy]silane

2,2,3,5,6,7,7-heptamethyloctan-4-yl-dimethyl-[(2-methylpropan-2-yl)oxy]silane (PubChem CID 123525516) has the molecular formula C21H46OSi and a molecular weight of 342.68 g/mol. Its IUPAC name is 2,2,3,5,6,7,7-heptamethyloctan-4-yl-dimethyl-[(2-methylpropan-2-yl)oxy]silane.

Molecular Properties

Compound Name2,2,3,5,6,7,7-heptamethyloctan-4-yl-dimethyl-[(2-methylpropan-2-yl)oxy]silane
PubChem CID123525516
Molecular FormulaC21H46OSi
Molecular Weight342.68 g/mol
Exact Mass342.33
IUPAC Name2,2,3,5,6,7,7-heptamethyloctan-4-yl-dimethyl-[(2-methylpropan-2-yl)oxy]silane
SMILESCC(C(C)C(C)(C)C)C(C(C)C(C)(C)C)[Si](C)(C)OC(C)(C)C
InChIInChI=1S/C21H46OSi/c1-15(16(2)19(4,5)6)18(17(3)20(7,8)9)23(13,14)22-21(10,11)12/h15-18H,1-14H3
InChIKeyACZKHTZGNXZNNW-UHFFFAOYSA-N
XLogP7.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.68
LogP ≤ 57.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Trimethyl-(2,2,4-trimethyl-1-trimethylsilylheptan-4-yl)oxysilane
CID 18716500
2,2,5,5,6,6-Hexapropyloxasilinane
CID 21641465
2-(1,2-Dimethyl-2-pentylsiletan-1-yl)oxybutan-2-yl-(4-ethyl-4-methylhexyl)-dimethylsilane
CID 90895750
[2-(2,2-Dimethylpropyl)-3,4,5,5-tetramethylhexyl]-dimethyl-trimethylsilyloxysilane
CID 123149684
[1-[Ethyl(oxo)silyl]-2,2,3-trimethylnonadecan-3-yl]-trimethylsilane;trimethyl-(2,2,4-trimethyl-4-trimethylsilyloxypentyl)silane
CID 123368483
2-Dimethylsilylpropan-2-yloxy-dimethyl-(3,4,4,6,6-pentamethylheptan-3-yl)silane
CID 123652125
[2-(2,2-Dimethylbutyl)-3,4,5,5-tetramethylhexyl]-dimethyl-trimethylsilyloxysilane
CID 123692781
[4,4-Dimethyl-2-(2-methylbutan-2-yl)hexyl]-dimethyl-trimethylsilyloxysilane
CID 123839299
2-Dimethylsilylbutan-2-yloxy-dimethyl-(3,4,4,6,6-pentamethylheptan-3-yl)silane
CID 123962570
(1,2,2,3,3,4-Hexamethylcyclononyl)-methoxy-dimethylsilane
CID 141217403
(2-Cyclohexyl-3,3,4,4,5,5,6-heptamethylheptan-2-yl)-methoxy-dimethylsilane
CID 141475322
Trimethyl(2,3,3,4,4,5,5,6-octamethylheptan-2-yloxy)silane
CID 141504327

Frequently Asked Questions

What is the IUPAC name of 2,2,3,5,6,7,7-heptamethyloctan-4-yl-dimethyl-[(2-methylpropan-2-yl)oxy]silane?
The IUPAC name of 2,2,3,5,6,7,7-heptamethyloctan-4-yl-dimethyl-[(2-methylpropan-2-yl)oxy]silane (CID 123525516) is 2,2,3,5,6,7,7-heptamethyloctan-4-yl-dimethyl-[(2-methylpropan-2-yl)oxy]silane.
What is the SMILES notation for 2,2,3,5,6,7,7-heptamethyloctan-4-yl-dimethyl-[(2-methylpropan-2-yl)oxy]silane?
The canonical SMILES for 2,2,3,5,6,7,7-heptamethyloctan-4-yl-dimethyl-[(2-methylpropan-2-yl)oxy]silane is CC(C(C)C(C)(C)C)C(C(C)C(C)(C)C)[Si](C)(C)OC(C)(C)C.
What is the InChIKey of 2,2,3,5,6,7,7-heptamethyloctan-4-yl-dimethyl-[(2-methylpropan-2-yl)oxy]silane?
The InChIKey is ACZKHTZGNXZNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H46OSi/c1-15(16(2)19(4,5)6)18(17(3)20(7,8)9)23(13,14)22-21(10,11)12/h15-18H,1-14H3.
What are the key properties of 2,2,3,5,6,7,7-heptamethyloctan-4-yl-dimethyl-[(2-methylpropan-2-yl)oxy]silane?
2,2,3,5,6,7,7-heptamethyloctan-4-yl-dimethyl-[(2-methylpropan-2-yl)oxy]silane has a molecular weight of 342.68 g/mol, XLogP of 7.38, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,5,6,7,7-heptamethyloctan-4-yl-dimethyl-[(2-methylpropan-2-yl)oxy]silane is sourced from PubChem (CID 123525516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).