tert-butyl-dimethyl-[(2S,4S,6S)-2,4,6,8-tetramethylnonoxy]silane

C19H42OSi — CID 57336860

IUPACtert-butyl-dimethyl-[(2S,4S,6S)-2,4,6,8-tetramethylnonoxy]silane
SMILESCC(C)C[C@H](C)C[C@H](C)C[C@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H42OSi/c1-15(2)11-16(3)12-17(4)13-18(5)14-20-21(9,10)19(6,7)8/h15-18H,11-14H2,1-10H3/t16-,17-,18-/m0/s1
InChIKeyMRTGMNKIKCIXLY-BZSNNMDCSA-N
MW314.63 g/mol
LogP6.74
Rot. Bonds9

About tert-butyl-dimethyl-[(2S,4S,6S)-2,4,6,8-tetramethylnonoxy]silane

tert-butyl-dimethyl-[(2S,4S,6S)-2,4,6,8-tetramethylnonoxy]silane (PubChem CID 57336860) has the molecular formula C19H42OSi and a molecular weight of 314.63 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(2S,4S,6S)-2,4,6,8-tetramethylnonoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(2S,4S,6S)-2,4,6,8-tetramethylnonoxy]silane
PubChem CID57336860
Molecular FormulaC19H42OSi
Molecular Weight314.63 g/mol
Exact Mass314.30
IUPAC Nametert-butyl-dimethyl-[(2S,4S,6S)-2,4,6,8-tetramethylnonoxy]silane
SMILESCC(C)C[C@H](C)C[C@H](C)C[C@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H42OSi/c1-15(2)11-16(3)12-17(4)13-18(5)14-20-21(9,10)19(6,7)8/h15-18H,11-14H2,1-10H3/t16-,17-,18-/m0/s1
InChIKeyMRTGMNKIKCIXLY-BZSNNMDCSA-N
XLogP6.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.63
LogP ≤ 56.74
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

tert-butyl-[(2S,4R,6S)-6-iodo-2,4-dimethylheptoxy]-dimethylsilane
CID 71713685
tert-butyl-dimethyl-[(2S)-2-methylbutoxy]silane
CID 133082116
(2S,3R,4S,6S,8R)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethylnonane-1,3-diol
CID 54768092
tert-butyl-[(2S,4R)-2,4-dimethylhept-5-ynoxy]-dimethylsilane
CID 164887760
5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-1-ol
CID 14758907
tert-butyl-[(2S)-2-fluoropropoxy]-dimethylsilane
CID 141238974
1-[tert-butyl(dimethyl)silyl]oxypropan-2-ol
CID 13175134
tert-butyl-[(E,2R)-2,4-dimethylhex-4-enoxy]-dimethylsilane
CID 10060311
[3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl] methanesulfonate
CID 175551678
[2-bromo-3-[tert-butyl(dimethyl)silyl]oxypropoxy]-tert-butyl-dimethylsilane
CID 125380572
methyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate
CID 11817464
(E)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhex-2-en-1-ol
CID 19737479

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(2S,4S,6S)-2,4,6,8-tetramethylnonoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(2S,4S,6S)-2,4,6,8-tetramethylnonoxy]silane (CID 57336860) is tert-butyl-dimethyl-[(2S,4S,6S)-2,4,6,8-tetramethylnonoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(2S,4S,6S)-2,4,6,8-tetramethylnonoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(2S,4S,6S)-2,4,6,8-tetramethylnonoxy]silane is CC(C)C[C@H](C)C[C@H](C)C[C@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(2S,4S,6S)-2,4,6,8-tetramethylnonoxy]silane?
The InChIKey is MRTGMNKIKCIXLY-BZSNNMDCSA-N. The full InChI is InChI=1S/C19H42OSi/c1-15(2)11-16(3)12-17(4)13-18(5)14-20-21(9,10)19(6,7)8/h15-18H,11-14H2,1-10H3/t16-,17-,18-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(2S,4S,6S)-2,4,6,8-tetramethylnonoxy]silane?
tert-butyl-dimethyl-[(2S,4S,6S)-2,4,6,8-tetramethylnonoxy]silane has a molecular weight of 314.63 g/mol, XLogP of 6.74, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(2S,4S,6S)-2,4,6,8-tetramethylnonoxy]silane is sourced from PubChem (CID 57336860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).