tert-butyl-[(3S)-1-[tert-butyl(dimethyl)silyl]oxytetradecan-3-yl]oxy-dimethylsilane

C26H58O2Si2 — CID 134864006

IUPACtert-butyl-[(3S)-1-[tert-butyl(dimethyl)silyl]oxytetradecan-3-yl]oxy-dimethylsilane
SMILESCCCCCCCCCCC[C@@H](CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H58O2Si2/c1-12-13-14-15-16-17-18-19-20-21-24(28-30(10,11)26(5,6)7)22-23-27-29(8,9)25(2,3)4/h24H,12-23H2,1-11H3/t24-/m0/s1
InChIKeyCWLFDJKJFSWCHY-DEOSSOPVSA-N
MW458.92 g/mol
LogP9.71
Rot. Bonds16

About tert-butyl-[(3S)-1-[tert-butyl(dimethyl)silyl]oxytetradecan-3-yl]oxy-dimethylsilane

tert-butyl-[(3S)-1-[tert-butyl(dimethyl)silyl]oxytetradecan-3-yl]oxy-dimethylsilane (PubChem CID 134864006) has the molecular formula C26H58O2Si2 and a molecular weight of 458.92 g/mol. Its IUPAC name is tert-butyl-[(3S)-1-[tert-butyl(dimethyl)silyl]oxytetradecan-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3S)-1-[tert-butyl(dimethyl)silyl]oxytetradecan-3-yl]oxy-dimethylsilane
PubChem CID134864006
Molecular FormulaC26H58O2Si2
Molecular Weight458.92 g/mol
Exact Mass458.40
IUPAC Nametert-butyl-[(3S)-1-[tert-butyl(dimethyl)silyl]oxytetradecan-3-yl]oxy-dimethylsilane
SMILESCCCCCCCCCCC[C@@H](CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H58O2Si2/c1-12-13-14-15-16-17-18-19-20-21-24(28-30(10,11)26(5,6)7)22-23-27-29(8,9)25(2,3)4/h24H,12-23H2,1-11H3/t24-/m0/s1
InChIKeyCWLFDJKJFSWCHY-DEOSSOPVSA-N
XLogP9.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.92
LogP ≤ 59.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Silane, (decyloxy)(1,1-dimethylethyl)dimethyl-
CID 529143
Silane, (1,1-dimethylethyl)dimethyl(octadecyloxy)-
CID 529170
Tetradecyl tert-butyldimethylsilyl ether
CID 529187
Silane, (1,1-dimethylethyl)dimethyl[(1-methylheptyl)oxy]-
CID 6430238
Silane, dimethyldi(2-octyloxy)-
CID 85708223
Hexadecyl tert-butyldimethylsilyl ether
CID 529157
1,10-decanediol, tBDMS
CID 6430197
2-nonanol, tBDMS
CID 6430237
1,8-octanediol, tBDMS
CID 6430203
1-Dodecanol, DMTBS
CID 529148
Tert-butyl-heptadecoxy-dimethylsilane
CID 6429824
Tert-butyl-dimethyl-nonadecoxysilane
CID 6430216

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3S)-1-[tert-butyl(dimethyl)silyl]oxytetradecan-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(3S)-1-[tert-butyl(dimethyl)silyl]oxytetradecan-3-yl]oxy-dimethylsilane (CID 134864006) is tert-butyl-[(3S)-1-[tert-butyl(dimethyl)silyl]oxytetradecan-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3S)-1-[tert-butyl(dimethyl)silyl]oxytetradecan-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(3S)-1-[tert-butyl(dimethyl)silyl]oxytetradecan-3-yl]oxy-dimethylsilane is CCCCCCCCCCC[C@@H](CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(3S)-1-[tert-butyl(dimethyl)silyl]oxytetradecan-3-yl]oxy-dimethylsilane?
The InChIKey is CWLFDJKJFSWCHY-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H58O2Si2/c1-12-13-14-15-16-17-18-19-20-21-24(28-30(10,11)26(5,6)7)22-23-27-29(8,9)25(2,3)4/h24H,12-23H2,1-11H3/t24-/m0/s1.
What are the key properties of tert-butyl-[(3S)-1-[tert-butyl(dimethyl)silyl]oxytetradecan-3-yl]oxy-dimethylsilane?
tert-butyl-[(3S)-1-[tert-butyl(dimethyl)silyl]oxytetradecan-3-yl]oxy-dimethylsilane has a molecular weight of 458.92 g/mol, XLogP of 9.71, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3S)-1-[tert-butyl(dimethyl)silyl]oxytetradecan-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 134864006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).