tert-butyl-[(2R,4R)-2,4-dimethylhexoxy]-dimethylsilane

C14H32OSi — CID 162397382

IUPACtert-butyl-[(2R,4R)-2,4-dimethylhexoxy]-dimethylsilane
SMILESCC[C@@H](C)C[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H32OSi/c1-9-12(2)10-13(3)11-15-16(7,8)14(4,5)6/h12-13H,9-11H2,1-8H3/t12-,13-/m1/s1
InChIKeyCFNVEQIMGNVXGC-CHWSQXEVSA-N
MW244.49 g/mol
LogP5.08
Rot. Bonds6

About tert-butyl-[(2R,4R)-2,4-dimethylhexoxy]-dimethylsilane

tert-butyl-[(2R,4R)-2,4-dimethylhexoxy]-dimethylsilane (PubChem CID 162397382) has the molecular formula C14H32OSi and a molecular weight of 244.49 g/mol. Its IUPAC name is tert-butyl-[(2R,4R)-2,4-dimethylhexoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R,4R)-2,4-dimethylhexoxy]-dimethylsilane
PubChem CID162397382
Molecular FormulaC14H32OSi
Molecular Weight244.49 g/mol
Exact Mass244.22
IUPAC Nametert-butyl-[(2R,4R)-2,4-dimethylhexoxy]-dimethylsilane
SMILESCC[C@@H](C)C[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H32OSi/c1-9-12(2)10-13(3)11-15-16(7,8)14(4,5)6/h12-13H,9-11H2,1-8H3/t12-,13-/m1/s1
InChIKeyCFNVEQIMGNVXGC-CHWSQXEVSA-N
XLogP5.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.49
LogP ≤ 55.08
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

Silane, dimethyldi(2-ethylhexyloxy)
CID 85694064
Silane, [(2-ethylhexyl)oxy]trimethyl-
CID 554452
2-Methyl-1-pentanol, tert-butyldimethylsilyl ether
CID 86203641
tert-butyl-dimethyl-[(3S)-3-methylundecoxy]silane
CID 11312646
tert-butyl-dimethyl-[(3S)-3-methylpentoxy]silane
CID 88988001
(s)-t-Butyl(dimethyl)[(13-methylheptadecyl)oxy]silane
CID 146679947
Silane, dimethyldi(3-methylpentyloxy)-
CID 14388494
Dimethylpyrrolbis[(2-methylpentyl)oxy]morphosilane
CID 91697347
Silane, dimethyldiisohexyloxy-
CID 91698398
Silane, dimethyl(3-methylpentyloxy)isohexyloxy-
CID 91698399
Silane, diethylisohexyloxy(2-methylbutoxy)-
CID 91698400
Silane, chlorodiethyl(2-ethylhexyloxy)-
CID 91704440

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R,4R)-2,4-dimethylhexoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(2R,4R)-2,4-dimethylhexoxy]-dimethylsilane (CID 162397382) is tert-butyl-[(2R,4R)-2,4-dimethylhexoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2R,4R)-2,4-dimethylhexoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(2R,4R)-2,4-dimethylhexoxy]-dimethylsilane is CC[C@@H](C)C[C@@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2R,4R)-2,4-dimethylhexoxy]-dimethylsilane?
The InChIKey is CFNVEQIMGNVXGC-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H32OSi/c1-9-12(2)10-13(3)11-15-16(7,8)14(4,5)6/h12-13H,9-11H2,1-8H3/t12-,13-/m1/s1.
What are the key properties of tert-butyl-[(2R,4R)-2,4-dimethylhexoxy]-dimethylsilane?
tert-butyl-[(2R,4R)-2,4-dimethylhexoxy]-dimethylsilane has a molecular weight of 244.49 g/mol, XLogP of 5.08, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R,4R)-2,4-dimethylhexoxy]-dimethylsilane is sourced from PubChem (CID 162397382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).