(2S,3S,4R,5S)-4-methoxy-3,5-diphenyl-2-trimethylsilylhexan-2-ol

C22H32O2Si — CID 11348849

IUPAC(2S,3S,4R,5S)-4-methoxy-3,5-diphenyl-2-trimethylsilylhexan-2-ol
SMILESCO[C@H]([C@@H](C)c1ccccc1)[C@H](c1ccccc1)[C@@](C)(O)[Si](C)(C)C
InChIInChI=1S/C22H32O2Si/c1-17(18-13-9-7-10-14-18)21(24-3)20(19-15-11-8-12-16-19)22(2,23)25(4,5)6/h7-17,20-21,23H,1-6H3/t17-,20-,21+,22-/m0/s1
InChIKeyRSACDTIIICZPDR-MVWVFHAYSA-N
MW356.58 g/mol
LogP5.22
Rot. Bonds7

About (2S,3S,4R,5S)-4-methoxy-3,5-diphenyl-2-trimethylsilylhexan-2-ol

(2S,3S,4R,5S)-4-methoxy-3,5-diphenyl-2-trimethylsilylhexan-2-ol (PubChem CID 11348849) has the molecular formula C22H32O2Si and a molecular weight of 356.58 g/mol. Its IUPAC name is (2S,3S,4R,5S)-4-methoxy-3,5-diphenyl-2-trimethylsilylhexan-2-ol.

Molecular Properties

Compound Name(2S,3S,4R,5S)-4-methoxy-3,5-diphenyl-2-trimethylsilylhexan-2-ol
PubChem CID11348849
Molecular FormulaC22H32O2Si
Molecular Weight356.58 g/mol
Exact Mass356.22
IUPAC Name(2S,3S,4R,5S)-4-methoxy-3,5-diphenyl-2-trimethylsilylhexan-2-ol
SMILESCO[C@H]([C@@H](C)c1ccccc1)[C@H](c1ccccc1)[C@@](C)(O)[Si](C)(C)C
InChIInChI=1S/C22H32O2Si/c1-17(18-13-9-7-10-14-18)21(24-3)20(19-15-11-8-12-16-19)22(2,23)25(4,5)6/h7-17,20-21,23H,1-6H3/t17-,20-,21+,22-/m0/s1
InChIKeyRSACDTIIICZPDR-MVWVFHAYSA-N
XLogP5.22
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.58
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R,4S)-2-benzyl-3-methoxy-4-phenyl-1-trimethylsilylpentan-1-one
CID 101192102
(2S)-4-methoxy-4-phenyl-2-trimethylsilylbutan-2-ol
CID 102301293
(2-methyl-3,4-diphenylpentan-2-yl)benzene
CID 173387028
4,4-dimethyl-3-phenylpentan-2-ol
CID 91224802
ethane;[(2S)-3-phenylbutan-2-yl]benzene
CID 143602107
2-methylpropan-2-ol;1-phenylethanol
CID 160949043
(2R)-2-methoxy-N-[(2S,3R)-3-phenylbutan-2-yl]propanamide
CID 96522716
1,1-dimethoxy-2-phenylpropan-1-ol
CID 102056743
cumene;2-hydroperoxypropan-2-ol
CID 175197526
4,6-dihydroxy-2,4,6,8-tetramethyl-3,7-diphenylnonan-5-one
CID 141291359
3,3-dimethoxy-2-methyl-1-phenylpropane-1,2-diol
CID 85272252
cumene;2-methoxy-2-methylpropane
CID 68666509

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,5S)-4-methoxy-3,5-diphenyl-2-trimethylsilylhexan-2-ol?
The IUPAC name of (2S,3S,4R,5S)-4-methoxy-3,5-diphenyl-2-trimethylsilylhexan-2-ol (CID 11348849) is (2S,3S,4R,5S)-4-methoxy-3,5-diphenyl-2-trimethylsilylhexan-2-ol.
What is the SMILES notation for (2S,3S,4R,5S)-4-methoxy-3,5-diphenyl-2-trimethylsilylhexan-2-ol?
The canonical SMILES for (2S,3S,4R,5S)-4-methoxy-3,5-diphenyl-2-trimethylsilylhexan-2-ol is CO[C@H]([C@@H](C)c1ccccc1)[C@H](c1ccccc1)[C@@](C)(O)[Si](C)(C)C.
What is the InChIKey of (2S,3S,4R,5S)-4-methoxy-3,5-diphenyl-2-trimethylsilylhexan-2-ol?
The InChIKey is RSACDTIIICZPDR-MVWVFHAYSA-N. The full InChI is InChI=1S/C22H32O2Si/c1-17(18-13-9-7-10-14-18)21(24-3)20(19-15-11-8-12-16-19)22(2,23)25(4,5)6/h7-17,20-21,23H,1-6H3/t17-,20-,21+,22-/m0/s1.
What are the key properties of (2S,3S,4R,5S)-4-methoxy-3,5-diphenyl-2-trimethylsilylhexan-2-ol?
(2S,3S,4R,5S)-4-methoxy-3,5-diphenyl-2-trimethylsilylhexan-2-ol has a molecular weight of 356.58 g/mol, XLogP of 5.22, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5S)-4-methoxy-3,5-diphenyl-2-trimethylsilylhexan-2-ol is sourced from PubChem (CID 11348849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).