(2R,3S,4S)-1,4-bis[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]-2,3-dimethylbutane-1,4-diol

C32H54O6Si2 — CID 163284430

IUPAC(2R,3S,4S)-1,4-bis[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]-2,3-dimethylbutane-1,4-diol
SMILESCOc1cc(C(O)[C@H](C)[C@H](C)[C@H](O)c2ccc(O[Si](C)(C)C(C)(C)C)c(OC)c2)ccc1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C32H54O6Si2/c1-21(29(33)23-15-17-25(27(19-23)35-9)37-39(11,12)31(3,4)5)22(2)30(34)24-16-18-26(28(20-24)36-10)38-40(13,14)32(6,7)8/h15-22,29-30,33-34H,1-14H3/t21-,22+,29-,30?/m0/s1
InChIKeyHUDVIPZHIPEVQZ-CFZTZQJTSA-N
MW590.95 g/mol
LogP8.51
Rot. Bonds11

About (2R,3S,4S)-1,4-bis[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]-2,3-dimethylbutane-1,4-diol

(2R,3S,4S)-1,4-bis[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]-2,3-dimethylbutane-1,4-diol (PubChem CID 163284430) has the molecular formula C32H54O6Si2 and a molecular weight of 590.95 g/mol. Its IUPAC name is (2R,3S,4S)-1,4-bis[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]-2,3-dimethylbutane-1,4-diol.

Molecular Properties

Compound Name(2R,3S,4S)-1,4-bis[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]-2,3-dimethylbutane-1,4-diol
PubChem CID163284430
Molecular FormulaC32H54O6Si2
Molecular Weight590.95 g/mol
Exact Mass590.35
IUPAC Name(2R,3S,4S)-1,4-bis[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]-2,3-dimethylbutane-1,4-diol
SMILESCOc1cc(C(O)[C@H](C)[C@H](C)[C@H](O)c2ccc(O[Si](C)(C)C(C)(C)C)c(OC)c2)ccc1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C32H54O6Si2/c1-21(29(33)23-15-17-25(27(19-23)35-9)37-39(11,12)31(3,4)5)22(2)30(34)24-16-18-26(28(20-24)36-10)38-40(13,14)32(6,7)8/h15-22,29-30,33-34H,1-14H3/t21-,22+,29-,30?/m0/s1
InChIKeyHUDVIPZHIPEVQZ-CFZTZQJTSA-N
XLogP8.51
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.95
LogP ≤ 58.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(1R,2R)-1-[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyphenyl]-2-(3,4,5-trimethoxyphenyl)ethane-1,2-diol
CID 10766574
1,2-bis(3,4-dimethoxyphenyl)ethane-1,2-diol
CID 11461770
(NE)-N-[[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]methylidene]hydroxylamine
CID 11380504
2-methylpropyl N-[2-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]ethyl]-N-methylcarbamate
CID 91749312
2-amino-1-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]ethanone
CID 167726239
(2R,3S)-4,4-bis[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethoxyphenyl]-2,3-dimethylbutan-1-ol
CID 57337389
(1S,2S)-3-[2-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-6-phenylmethoxyphenyl]-1-(3-methoxy-4-phenylmethoxyphenyl)propane-1,2-diol
CID 102101367
tert-butyl-(5-chloro-2-methoxyphenoxy)-dimethylsilane
CID 125116719
1-[4-[4-[tert-butyl(dimethyl)silyl]oxy-3-chlorophenyl]phenyl]propan-1-ol
CID 42642715
4-(1-hydroxy-2,3,3-trimethylbutyl)-2-methoxyphenol
CID 58361160
2-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]-N-methylethanamine
CID 167731618
tert-butyl 3-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-2-methylpropanoate
CID 66337444

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S)-1,4-bis[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]-2,3-dimethylbutane-1,4-diol?
The IUPAC name of (2R,3S,4S)-1,4-bis[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]-2,3-dimethylbutane-1,4-diol (CID 163284430) is (2R,3S,4S)-1,4-bis[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]-2,3-dimethylbutane-1,4-diol.
What is the SMILES notation for (2R,3S,4S)-1,4-bis[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]-2,3-dimethylbutane-1,4-diol?
The canonical SMILES for (2R,3S,4S)-1,4-bis[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]-2,3-dimethylbutane-1,4-diol is COc1cc(C(O)[C@H](C)[C@H](C)[C@H](O)c2ccc(O[Si](C)(C)C(C)(C)C)c(OC)c2)ccc1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R,3S,4S)-1,4-bis[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]-2,3-dimethylbutane-1,4-diol?
The InChIKey is HUDVIPZHIPEVQZ-CFZTZQJTSA-N. The full InChI is InChI=1S/C32H54O6Si2/c1-21(29(33)23-15-17-25(27(19-23)35-9)37-39(11,12)31(3,4)5)22(2)30(34)24-16-18-26(28(20-24)36-10)38-40(13,14)32(6,7)8/h15-22,29-30,33-34H,1-14H3/t21-,22+,29-,30?/m0/s1.
What are the key properties of (2R,3S,4S)-1,4-bis[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]-2,3-dimethylbutane-1,4-diol?
(2R,3S,4S)-1,4-bis[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]-2,3-dimethylbutane-1,4-diol has a molecular weight of 590.95 g/mol, XLogP of 8.51, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S)-1,4-bis[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]-2,3-dimethylbutane-1,4-diol is sourced from PubChem (CID 163284430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).