(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(4-methoxyphenyl)methoxy]-4-methylpentan-2-ol

C20H36O4Si — CID 56647550

IUPAC(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(4-methoxyphenyl)methoxy]-4-methylpentan-2-ol
SMILESCOc1ccc(COC(C)(C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)O)cc1
InChIInChI=1S/C20H36O4Si/c1-15(21)18(24-25(8,9)19(2,3)4)20(5,6)23-14-16-10-12-17(22-7)13-11-16/h10-13,15,18,21H,14H2,1-9H3/t15-,18+/m1/s1
InChIKeyCFIYSHTZGFAVCG-QAPCUYQASA-N
MW368.59 g/mol
LogP4.76
Rot. Bonds8

About (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(4-methoxyphenyl)methoxy]-4-methylpentan-2-ol

(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(4-methoxyphenyl)methoxy]-4-methylpentan-2-ol (PubChem CID 56647550) has the molecular formula C20H36O4Si and a molecular weight of 368.59 g/mol. Its IUPAC name is (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(4-methoxyphenyl)methoxy]-4-methylpentan-2-ol.

Molecular Properties

Compound Name(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(4-methoxyphenyl)methoxy]-4-methylpentan-2-ol
PubChem CID56647550
Molecular FormulaC20H36O4Si
Molecular Weight368.59 g/mol
Exact Mass368.24
IUPAC Name(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(4-methoxyphenyl)methoxy]-4-methylpentan-2-ol
SMILESCOc1ccc(COC(C)(C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)O)cc1
InChIInChI=1S/C20H36O4Si/c1-15(21)18(24-25(8,9)19(2,3)4)20(5,6)23-14-16-10-12-17(22-7)13-11-16/h10-13,15,18,21H,14H2,1-9H3/t15-,18+/m1/s1
InChIKeyCFIYSHTZGFAVCG-QAPCUYQASA-N
XLogP4.76
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.59
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S,4S,5R,7S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-7-[(4-methoxyphenyl)methoxy]-5-methyloctan-2-ol
CID 71469752
1-methoxy-4-[(2-methylpropan-2-yl)oxymethyl]benzene
CID 11206354
(3S,4R)-3-amino-2-[tert-butyl(dimethyl)silyl]oxy-4-[(4-methoxyphenyl)methoxy]pentanenitrile
CID 102094659
tert-butyl-[(2S,3S,4S)-3-[(4-methoxyphenyl)methoxy]-4-methylhex-5-yn-2-yl]oxy-dimethylsilane
CID 15814219
(2R,6R)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]-1,7-bis[(4-methoxyphenyl)methoxy]heptan-4-one
CID 11273742
(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(4-methoxyphenyl)methoxy]hexane-1,2-diol
CID 46211134
tert-butyl-[(2R,3S,4S)-1-iodo-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpentan-3-yl]oxy-dimethylsilane
CID 11329357
(2S,3R,4S,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-3-[(4-methoxyphenyl)methoxy]-2,4-dimethylheptan-1-ol
CID 14378941
(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-4-methylpentanal
CID 134972578
methyl (3S)-2-acetyl-3-[tert-butyl(dimethyl)silyl]oxy-2-[(4-methoxyphenyl)methylamino]-4-methylpentanoate
CID 91400934
(2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpentanal
CID 177467980
3-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpentanal
CID 58762106

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(4-methoxyphenyl)methoxy]-4-methylpentan-2-ol?
The IUPAC name of (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(4-methoxyphenyl)methoxy]-4-methylpentan-2-ol (CID 56647550) is (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(4-methoxyphenyl)methoxy]-4-methylpentan-2-ol.
What is the SMILES notation for (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(4-methoxyphenyl)methoxy]-4-methylpentan-2-ol?
The canonical SMILES for (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(4-methoxyphenyl)methoxy]-4-methylpentan-2-ol is COc1ccc(COC(C)(C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)O)cc1.
What is the InChIKey of (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(4-methoxyphenyl)methoxy]-4-methylpentan-2-ol?
The InChIKey is CFIYSHTZGFAVCG-QAPCUYQASA-N. The full InChI is InChI=1S/C20H36O4Si/c1-15(21)18(24-25(8,9)19(2,3)4)20(5,6)23-14-16-10-12-17(22-7)13-11-16/h10-13,15,18,21H,14H2,1-9H3/t15-,18+/m1/s1.
What are the key properties of (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(4-methoxyphenyl)methoxy]-4-methylpentan-2-ol?
(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(4-methoxyphenyl)methoxy]-4-methylpentan-2-ol has a molecular weight of 368.59 g/mol, XLogP of 4.76, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(4-methoxyphenyl)methoxy]-4-methylpentan-2-ol is sourced from PubChem (CID 56647550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).