(1R,2R)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-methylpropane-1,3-diol

C16H28O3Si — CID 11000963

IUPAC(1R,2R)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-methylpropane-1,3-diol
SMILESC[C@H](CO)[C@@H](O)c1ccc(O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C16H28O3Si/c1-12(11-17)15(18)13-7-9-14(10-8-13)19-20(5,6)16(2,3)4/h7-10,12,15,17-18H,11H2,1-6H3/t12-,15-/m1/s1
InChIKeyLDYUQCBAGVIQOB-IUODEOHRSA-N
MW296.48 g/mol
LogP3.73
Rot. Bonds5

About (1R,2R)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-methylpropane-1,3-diol

(1R,2R)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-methylpropane-1,3-diol (PubChem CID 11000963) has the molecular formula C16H28O3Si and a molecular weight of 296.48 g/mol. Its IUPAC name is (1R,2R)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-methylpropane-1,3-diol.

Molecular Properties

Compound Name(1R,2R)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-methylpropane-1,3-diol
PubChem CID11000963
Molecular FormulaC16H28O3Si
Molecular Weight296.48 g/mol
Exact Mass296.18
IUPAC Name(1R,2R)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-methylpropane-1,3-diol
SMILESC[C@H](CO)[C@@H](O)c1ccc(O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C16H28O3Si/c1-12(11-17)15(18)13-7-9-14(10-8-13)19-20(5,6)16(2,3)4/h7-10,12,15,17-18H,11H2,1-6H3/t12-,15-/m1/s1
InChIKeyLDYUQCBAGVIQOB-IUODEOHRSA-N
XLogP3.73
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-hydroxyacetic acid
CID 167729087
2-methyl-1-(4-propan-2-ylphenyl)propane-1,3-diol
CID 91250874
(R)-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-[(2S)-oxiran-2-yl]methanol
CID 10989636
(1R)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-nitroethanol
CID 11335479
2-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]ethanamine
CID 91743544
(1S,2R)-1-(4-chlorophenyl)-2-methylpropane-1,3-diol
CID 122579159
2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-methoxyacetic acid
CID 167742574
[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-(3-fluorophenyl)methanol
CID 23553299
1-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]ethanol
CID 66660384
[(Z)-4-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-hydroxybut-1-enyl] acetate
CID 46850140
tert-butyl (2S)-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-hydroxypropanoate
CID 102018179
(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 58488317

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-methylpropane-1,3-diol?
The IUPAC name of (1R,2R)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-methylpropane-1,3-diol (CID 11000963) is (1R,2R)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-methylpropane-1,3-diol.
What is the SMILES notation for (1R,2R)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-methylpropane-1,3-diol?
The canonical SMILES for (1R,2R)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-methylpropane-1,3-diol is C[C@H](CO)[C@@H](O)c1ccc(O[Si](C)(C)C(C)(C)C)cc1.
What is the InChIKey of (1R,2R)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-methylpropane-1,3-diol?
The InChIKey is LDYUQCBAGVIQOB-IUODEOHRSA-N. The full InChI is InChI=1S/C16H28O3Si/c1-12(11-17)15(18)13-7-9-14(10-8-13)19-20(5,6)16(2,3)4/h7-10,12,15,17-18H,11H2,1-6H3/t12-,15-/m1/s1.
What are the key properties of (1R,2R)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-methylpropane-1,3-diol?
(1R,2R)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-methylpropane-1,3-diol has a molecular weight of 296.48 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-methylpropane-1,3-diol is sourced from PubChem (CID 11000963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).