(2R,3S)-4,4-bis[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethoxyphenyl]-2,3-dimethylbutan-1-ol

C34H58O7Si2 — CID 57337389

IUPAC(2R,3S)-4,4-bis[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethoxyphenyl]-2,3-dimethylbutan-1-ol
SMILESCOc1cc(C(c2cc(OC)c(O[Si](C)(C)C(C)(C)C)c(OC)c2)[C@H](C)[C@@H](C)CO)cc(OC)c1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C34H58O7Si2/c1-22(21-35)23(2)30(24-17-26(36-9)31(27(18-24)37-10)40-42(13,14)33(3,4)5)25-19-28(38-11)32(29(20-25)39-12)41-43(15,16)34(6,7)8/h17-20,22-23,30,35H,21H2,1-16H3/t22-,23+/m0/s1
InChIKeyORFKQAWTGPFWHL-XZOQPEGZSA-N
MW635.00 g/mol
LogP8.89
Rot. Bonds13

About (2R,3S)-4,4-bis[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethoxyphenyl]-2,3-dimethylbutan-1-ol

(2R,3S)-4,4-bis[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethoxyphenyl]-2,3-dimethylbutan-1-ol (PubChem CID 57337389) has the molecular formula C34H58O7Si2 and a molecular weight of 635.00 g/mol. Its IUPAC name is (2R,3S)-4,4-bis[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethoxyphenyl]-2,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name(2R,3S)-4,4-bis[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethoxyphenyl]-2,3-dimethylbutan-1-ol
PubChem CID57337389
Molecular FormulaC34H58O7Si2
Molecular Weight635.00 g/mol
Exact Mass634.37
IUPAC Name(2R,3S)-4,4-bis[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethoxyphenyl]-2,3-dimethylbutan-1-ol
SMILESCOc1cc(C(c2cc(OC)c(O[Si](C)(C)C(C)(C)C)c(OC)c2)[C@H](C)[C@@H](C)CO)cc(OC)c1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C34H58O7Si2/c1-22(21-35)23(2)30(24-17-26(36-9)31(27(18-24)37-10)40-42(13,14)33(3,4)5)25-19-28(38-11)32(29(20-25)39-12)41-43(15,16)34(6,7)8/h17-20,22-23,30,35H,21H2,1-16H3/t22-,23+/m0/s1
InChIKeyORFKQAWTGPFWHL-XZOQPEGZSA-N
XLogP8.89
TPSA75.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.00
LogP ≤ 58.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(4-bromo-2,6-dimethoxyphenoxy)-tert-butyl-dimethylsilane
CID 11089314
tert-butyl-dimethyl-(2,4,6-trimethoxyphenoxy)silane
CID 102281484
(2R,3S,4S)-1,4-bis[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]-2,3-dimethylbutane-1,4-diol
CID 163284430
1-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethoxyphenyl]ethanone
CID 22025593
(1R,2R)-1-[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyphenyl]-2-(3,4,5-trimethoxyphenyl)ethane-1,2-diol
CID 10766574
(2R,3S)-4,4-bis(4-methoxyphenyl)-2,3-dimethylbutan-1-ol
CID 53474824
3-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethoxyphenyl]propanal
CID 167727510
(1R,2R)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-methylpropane-1,3-diol
CID 11000963
4-[1-(1,3-benzodioxol-5-yl)-4-hydroxy-2,3-dimethylbutyl]-2-methoxyphenol
CID 54751785
2-[3-amino-4-[tert-butyl(dimethyl)silyl]oxy-5-methoxyphenyl]-2-[tert-butyl(dimethyl)silyl]oxyacetonitrile
CID 10622163
tert-butyl-[2-(2,2-dibromoethenyl)-5,6-dimethoxy-3-methylphenoxy]-dimethylsilane
CID 10552149
[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-methylphenyl]methylphosphonic acid
CID 20634491

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-4,4-bis[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethoxyphenyl]-2,3-dimethylbutan-1-ol?
The IUPAC name of (2R,3S)-4,4-bis[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethoxyphenyl]-2,3-dimethylbutan-1-ol (CID 57337389) is (2R,3S)-4,4-bis[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethoxyphenyl]-2,3-dimethylbutan-1-ol.
What is the SMILES notation for (2R,3S)-4,4-bis[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethoxyphenyl]-2,3-dimethylbutan-1-ol?
The canonical SMILES for (2R,3S)-4,4-bis[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethoxyphenyl]-2,3-dimethylbutan-1-ol is COc1cc(C(c2cc(OC)c(O[Si](C)(C)C(C)(C)C)c(OC)c2)[C@H](C)[C@@H](C)CO)cc(OC)c1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R,3S)-4,4-bis[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethoxyphenyl]-2,3-dimethylbutan-1-ol?
The InChIKey is ORFKQAWTGPFWHL-XZOQPEGZSA-N. The full InChI is InChI=1S/C34H58O7Si2/c1-22(21-35)23(2)30(24-17-26(36-9)31(27(18-24)37-10)40-42(13,14)33(3,4)5)25-19-28(38-11)32(29(20-25)39-12)41-43(15,16)34(6,7)8/h17-20,22-23,30,35H,21H2,1-16H3/t22-,23+/m0/s1.
What are the key properties of (2R,3S)-4,4-bis[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethoxyphenyl]-2,3-dimethylbutan-1-ol?
(2R,3S)-4,4-bis[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethoxyphenyl]-2,3-dimethylbutan-1-ol has a molecular weight of 635.00 g/mol, XLogP of 8.89, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-4,4-bis[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethoxyphenyl]-2,3-dimethylbutan-1-ol is sourced from PubChem (CID 57337389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).