(2R,3R,4S)-2-benzyl-3-methoxy-4-phenyl-1-trimethylsilylpentan-1-one

C22H30O2Si — CID 101192102

IUPAC(2R,3R,4S)-2-benzyl-3-methoxy-4-phenyl-1-trimethylsilylpentan-1-one
SMILESCO[C@@H]([C@@H](Cc1ccccc1)C(=O)[Si](C)(C)C)[C@@H](C)c1ccccc1
InChIInChI=1S/C22H30O2Si/c1-17(19-14-10-7-11-15-19)21(24-2)20(22(23)25(3,4)5)16-18-12-8-6-9-13-18/h6-15,17,20-21H,16H2,1-5H3/t17-,20+,21+/m0/s1
InChIKeyHIXHDKYVMVBLHR-IOMROCGXSA-N
MW354.57 g/mol
LogP5.11
Rot. Bonds8

About (2R,3R,4S)-2-benzyl-3-methoxy-4-phenyl-1-trimethylsilylpentan-1-one

(2R,3R,4S)-2-benzyl-3-methoxy-4-phenyl-1-trimethylsilylpentan-1-one (PubChem CID 101192102) has the molecular formula C22H30O2Si and a molecular weight of 354.57 g/mol. Its IUPAC name is (2R,3R,4S)-2-benzyl-3-methoxy-4-phenyl-1-trimethylsilylpentan-1-one.

Molecular Properties

Compound Name(2R,3R,4S)-2-benzyl-3-methoxy-4-phenyl-1-trimethylsilylpentan-1-one
PubChem CID101192102
Molecular FormulaC22H30O2Si
Molecular Weight354.57 g/mol
Exact Mass354.20
IUPAC Name(2R,3R,4S)-2-benzyl-3-methoxy-4-phenyl-1-trimethylsilylpentan-1-one
SMILESCO[C@@H]([C@@H](Cc1ccccc1)C(=O)[Si](C)(C)C)[C@@H](C)c1ccccc1
InChIInChI=1S/C22H30O2Si/c1-17(19-14-10-7-11-15-19)21(24-2)20(22(23)25(3,4)5)16-18-12-8-6-9-13-18/h6-15,17,20-21H,16H2,1-5H3/t17-,20+,21+/m0/s1
InChIKeyHIXHDKYVMVBLHR-IOMROCGXSA-N
XLogP5.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.57
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R,3R,4S)-2-benzyl-3-methoxy-4-phenyl-1-trimethylsilylpentan-1-one with MolForge

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Related Compounds

methyl (2R)-2-benzyl-3-methylbutanoate
CID 59852467
methyl 2-methyl-3-phenylpropanoate
CID 11105919
(2S,3S,4R,5S)-4-methoxy-3,5-diphenyl-2-trimethylsilylhexan-2-ol
CID 11348849
(2-methyl-3-phenylpropanoyl) 2-methyl-3-phenylpropanoate
CID 170643388
(2R)-2-methoxy-3-phenylpropanoic acid
CID 72942339
2-methoxy-3-phenyl-N-[(1S)-1-phenylethyl]propanamide
CID 102395814
ethane;2-methyl-3-phenylpropanoic acid
CID 90856303
calcium 2-methyl-3-phenylpropanoic acid
CID 51348696
2-benzyl-3-phenylpent-4-ynoic acid
CID 22215055
(2R)-2-methoxy-N-[(2S,3R)-3-phenylbutan-2-yl]propanamide
CID 96522716
propan-2-yl (2R)-2-benzyl-3-methylbutanoate
CID 89429198
propan-2-yl (2S)-2-benzyl-3-methylbutanoate
CID 132595294

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S)-2-benzyl-3-methoxy-4-phenyl-1-trimethylsilylpentan-1-one?
The IUPAC name of (2R,3R,4S)-2-benzyl-3-methoxy-4-phenyl-1-trimethylsilylpentan-1-one (CID 101192102) is (2R,3R,4S)-2-benzyl-3-methoxy-4-phenyl-1-trimethylsilylpentan-1-one.
What is the SMILES notation for (2R,3R,4S)-2-benzyl-3-methoxy-4-phenyl-1-trimethylsilylpentan-1-one?
The canonical SMILES for (2R,3R,4S)-2-benzyl-3-methoxy-4-phenyl-1-trimethylsilylpentan-1-one is CO[C@@H]([C@@H](Cc1ccccc1)C(=O)[Si](C)(C)C)[C@@H](C)c1ccccc1.
What is the InChIKey of (2R,3R,4S)-2-benzyl-3-methoxy-4-phenyl-1-trimethylsilylpentan-1-one?
The InChIKey is HIXHDKYVMVBLHR-IOMROCGXSA-N. The full InChI is InChI=1S/C22H30O2Si/c1-17(19-14-10-7-11-15-19)21(24-2)20(22(23)25(3,4)5)16-18-12-8-6-9-13-18/h6-15,17,20-21H,16H2,1-5H3/t17-,20+,21+/m0/s1.
What are the key properties of (2R,3R,4S)-2-benzyl-3-methoxy-4-phenyl-1-trimethylsilylpentan-1-one?
(2R,3R,4S)-2-benzyl-3-methoxy-4-phenyl-1-trimethylsilylpentan-1-one has a molecular weight of 354.57 g/mol, XLogP of 5.11, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S)-2-benzyl-3-methoxy-4-phenyl-1-trimethylsilylpentan-1-one is sourced from PubChem (CID 101192102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).