(2R)-2-[[(1E,3S,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-phenylhexa-1,5-dien-3-yl]amino]-2-phenylethanol

C27H39NO2Si — CID 46868612

IUPAC(2R)-2-[[(1E,3S,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-phenylhexa-1,5-dien-3-yl]amino]-2-phenylethanol
SMILESC=C[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](/C=C/c1ccccc1)N[C@@H](CO)c1ccccc1
InChIInChI=1S/C27H39NO2Si/c1-7-23(21-30-31(5,6)27(2,3)4)25(19-18-22-14-10-8-11-15-22)28-26(20-29)24-16-12-9-13-17-24/h7-19,23,25-26,28-29H,1,20-21H2,2-6H3/b19-18+/t23-,25+,26+/m1/s1
InChIKeyPONXJIPSRWLMJV-LVJAQAQWSA-N
MW437.70 g/mol
LogP6.22
Rot. Bonds11

About (2R)-2-[[(1E,3S,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-phenylhexa-1,5-dien-3-yl]amino]-2-phenylethanol

(2R)-2-[[(1E,3S,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-phenylhexa-1,5-dien-3-yl]amino]-2-phenylethanol (PubChem CID 46868612) has the molecular formula C27H39NO2Si and a molecular weight of 437.70 g/mol. Its IUPAC name is (2R)-2-[[(1E,3S,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-phenylhexa-1,5-dien-3-yl]amino]-2-phenylethanol.

Molecular Properties

Compound Name(2R)-2-[[(1E,3S,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-phenylhexa-1,5-dien-3-yl]amino]-2-phenylethanol
PubChem CID46868612
Molecular FormulaC27H39NO2Si
Molecular Weight437.70 g/mol
Exact Mass437.28
IUPAC Name(2R)-2-[[(1E,3S,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-phenylhexa-1,5-dien-3-yl]amino]-2-phenylethanol
SMILESC=C[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](/C=C/c1ccccc1)N[C@@H](CO)c1ccccc1
InChIInChI=1S/C27H39NO2Si/c1-7-23(21-30-31(5,6)27(2,3)4)25(19-18-22-14-10-8-11-15-22)28-26(20-29)24-16-12-9-13-17-24/h7-19,23,25-26,28-29H,1,20-21H2,2-6H3/b19-18+/t23-,25+,26+/m1/s1
InChIKeyPONXJIPSRWLMJV-LVJAQAQWSA-N
XLogP6.22
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.70
LogP ≤ 56.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

(E)-1-[tert-butyl(dimethyl)silyl]oxy-4-phenylbut-3-en-2-ol
CID 11587217
tert-butyl-[(E)-2,3-dibromo-5-phenylpent-4-enoxy]-dimethylsilane
CID 169094383
(E,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,5-diphenylpent-4-en-1-ol
CID 11545158
2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethanamine
CID 11459395
(2S)-2-phenyl-2-[[(3R,4R)-4-trimethylsilylhex-5-en-3-yl]amino]ethanol
CID 102006794
(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpent-4-en-1-ol
CID 101421938
(2R)-2-phenyl-2-[[(2S,3S)-3-(phenylmethoxymethyl)pent-4-en-2-yl]amino]ethanol
CID 46868747
tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-1-phenyl-2-[(E)-2-phenylethenoxy]propoxy]-dimethylsilane
CID 134881253
(2R)-2-phenyl-2-[[(1R)-1-phenylprop-2-enyl]amino]ethanol
CID 11032401
(E,2R)-4-phenyl-2-[[(1S)-1-phenylbut-3-enyl]amino]but-3-en-1-ol
CID 11392226
tert-butyl-[(2S,3S,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethenyl-3,4-dimethylhept-6-enoxy]-dimethylsilane
CID 11102001
tert-butyl-dimethyl-[(3S)-4-phenylpent-1-en-3-yl]oxysilane
CID 154488375

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(1E,3S,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-phenylhexa-1,5-dien-3-yl]amino]-2-phenylethanol?
The IUPAC name of (2R)-2-[[(1E,3S,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-phenylhexa-1,5-dien-3-yl]amino]-2-phenylethanol (CID 46868612) is (2R)-2-[[(1E,3S,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-phenylhexa-1,5-dien-3-yl]amino]-2-phenylethanol.
What is the SMILES notation for (2R)-2-[[(1E,3S,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-phenylhexa-1,5-dien-3-yl]amino]-2-phenylethanol?
The canonical SMILES for (2R)-2-[[(1E,3S,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-phenylhexa-1,5-dien-3-yl]amino]-2-phenylethanol is C=C[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](/C=C/c1ccccc1)N[C@@H](CO)c1ccccc1.
What is the InChIKey of (2R)-2-[[(1E,3S,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-phenylhexa-1,5-dien-3-yl]amino]-2-phenylethanol?
The InChIKey is PONXJIPSRWLMJV-LVJAQAQWSA-N. The full InChI is InChI=1S/C27H39NO2Si/c1-7-23(21-30-31(5,6)27(2,3)4)25(19-18-22-14-10-8-11-15-22)28-26(20-29)24-16-12-9-13-17-24/h7-19,23,25-26,28-29H,1,20-21H2,2-6H3/b19-18+/t23-,25+,26+/m1/s1.
What are the key properties of (2R)-2-[[(1E,3S,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-phenylhexa-1,5-dien-3-yl]amino]-2-phenylethanol?
(2R)-2-[[(1E,3S,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-phenylhexa-1,5-dien-3-yl]amino]-2-phenylethanol has a molecular weight of 437.70 g/mol, XLogP of 6.22, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(1E,3S,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-phenylhexa-1,5-dien-3-yl]amino]-2-phenylethanol is sourced from PubChem (CID 46868612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).