tert-butyl-dimethyl-[(2S)-2-methyl-3-phenoxypropoxy]silane

C16H28O2Si — CID 141099859

IUPACtert-butyl-dimethyl-[(2S)-2-methyl-3-phenoxypropoxy]silane
SMILESC[C@@H](COc1ccccc1)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H28O2Si/c1-14(12-17-15-10-8-7-9-11-15)13-18-19(5,6)16(2,3)4/h7-11,14H,12-13H2,1-6H3/t14-/m0/s1
InChIKeyZWJNPFHJEXDXBK-AWEZNQCLSA-N
MW280.48 g/mol
LogP4.72
Rot. Bonds6

About tert-butyl-dimethyl-[(2S)-2-methyl-3-phenoxypropoxy]silane

tert-butyl-dimethyl-[(2S)-2-methyl-3-phenoxypropoxy]silane (PubChem CID 141099859) has the molecular formula C16H28O2Si and a molecular weight of 280.48 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(2S)-2-methyl-3-phenoxypropoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(2S)-2-methyl-3-phenoxypropoxy]silane
PubChem CID141099859
Molecular FormulaC16H28O2Si
Molecular Weight280.48 g/mol
Exact Mass280.19
IUPAC Nametert-butyl-dimethyl-[(2S)-2-methyl-3-phenoxypropoxy]silane
SMILESC[C@@H](COc1ccccc1)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H28O2Si/c1-14(12-17-15-10-8-7-9-11-15)13-18-19(5,6)16(2,3)4/h7-11,14H,12-13H2,1-6H3/t14-/m0/s1
InChIKeyZWJNPFHJEXDXBK-AWEZNQCLSA-N
XLogP4.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[(2R,3S)-3-deuterio-2-methyl-3-phenylpropoxy]-dimethylsilane
CID 177106743
[(3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutyl]-triphenylphosphanium
CID 11410748
O-(3,3,5-trimethyl-6-phenoxyhexan-2-yl)hydroxylamine
CID 59956887
2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethanamine
CID 11459395
tert-butyl-dimethyl-[(2S)-2-methylbutoxy]silane
CID 133082116
tert-butyl-dimethyl-[(2R)-2-methyl-3-pyridin-4-ylpropoxy]silane
CID 134942464
4-[tert-butyl(dimethyl)silyl]oxy-N-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-N-phenylaniline
CID 163216748
tert-butyl-dimethyl-[(E,2S)-2-methyl-4-phenylpent-3-enoxy]silane
CID 134979892
2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(4-iodophenoxy)propan-1-ol
CID 66956755
tert-butyl-[(2R,3S)-2,3-dimethyl-4,4-bis(phenylselanyl)butoxy]-dimethylsilane
CID 10720890
2-(2-bromophenyl)propoxy-tert-butyl-dimethylsilane
CID 174100478
[4-[3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl]phenoxy]boronic acid
CID 139806780

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(2S)-2-methyl-3-phenoxypropoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(2S)-2-methyl-3-phenoxypropoxy]silane (CID 141099859) is tert-butyl-dimethyl-[(2S)-2-methyl-3-phenoxypropoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(2S)-2-methyl-3-phenoxypropoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(2S)-2-methyl-3-phenoxypropoxy]silane is C[C@@H](COc1ccccc1)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(2S)-2-methyl-3-phenoxypropoxy]silane?
The InChIKey is ZWJNPFHJEXDXBK-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H28O2Si/c1-14(12-17-15-10-8-7-9-11-15)13-18-19(5,6)16(2,3)4/h7-11,14H,12-13H2,1-6H3/t14-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(2S)-2-methyl-3-phenoxypropoxy]silane?
tert-butyl-dimethyl-[(2S)-2-methyl-3-phenoxypropoxy]silane has a molecular weight of 280.48 g/mol, XLogP of 4.72, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(2S)-2-methyl-3-phenoxypropoxy]silane is sourced from PubChem (CID 141099859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).