(E)-3-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-phenylprop-2-en-1-ol

C21H28O2Si — CID 10925869

IUPAC(E)-3-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-phenylprop-2-en-1-ol
SMILESCC(C)(C)[Si](C)(C)Oc1ccccc1/C=C/C(O)c1ccccc1
InChIInChI=1S/C21H28O2Si/c1-21(2,3)24(4,5)23-20-14-10-9-13-18(20)15-16-19(22)17-11-7-6-8-12-17/h6-16,19,22H,1-5H3/b16-15+
InChIKeyXPHLARVCJJQMPG-FOCLMDBBSA-N
MW340.54 g/mol
LogP5.82
Rot. Bonds5

About (E)-3-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-phenylprop-2-en-1-ol

(E)-3-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-phenylprop-2-en-1-ol (PubChem CID 10925869) has the molecular formula C21H28O2Si and a molecular weight of 340.54 g/mol. Its IUPAC name is (E)-3-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-phenylprop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-phenylprop-2-en-1-ol
PubChem CID10925869
Molecular FormulaC21H28O2Si
Molecular Weight340.54 g/mol
Exact Mass340.19
IUPAC Name(E)-3-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-phenylprop-2-en-1-ol
SMILESCC(C)(C)[Si](C)(C)Oc1ccccc1/C=C/C(O)c1ccccc1
InChIInChI=1S/C21H28O2Si/c1-21(2,3)24(4,5)23-20-14-10-9-13-18(20)15-16-19(22)17-11-7-6-8-12-17/h6-16,19,22H,1-5H3/b16-15+
InChIKeyXPHLARVCJJQMPG-FOCLMDBBSA-N
XLogP5.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.54
LogP ≤ 55.82
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

(E)-8-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-6-hydroxyoct-7-enoic acid
CID 68706971
2-[tert-butyl(dimethyl)silyl]oxybenzaldehyde
CID 10900635
(E)-3-[tert-butyl(dimethyl)silyl]-1-phenylprop-2-en-1-ol
CID 10922912
2-[tert-butyl(dimethyl)silyl]oxyphenol
CID 10878826
methyl 8-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-6-oxooct-7-enoate
CID 68710702
(R)-[tert-butyl(dimethyl)silyl]-phenylmethanol
CID 101051972
(Z)-1,4-diphenylbut-2-ene-1,4-diol
CID 12815414
1-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-phenylprop-2-yn-1-ol
CID 135073993
(1E,3S,4S,5E)-4-[tert-butyl(dimethyl)silyl]oxy-1,6-diphenylhexa-1,5-dien-3-ol
CID 102328317
(E)-1-[tert-butyl(dimethyl)silyl]oxy-4-phenylbut-3-en-2-ol
CID 11587217
(E,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,5-diphenylpent-4-en-1-ol
CID 11545158
tert-butyl [(Z,4R)-4-hydroxy-4-phenylbut-2-enyl] carbonate
CID 11369081

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-phenylprop-2-en-1-ol?
The IUPAC name of (E)-3-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-phenylprop-2-en-1-ol (CID 10925869) is (E)-3-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-phenylprop-2-en-1-ol.
What is the SMILES notation for (E)-3-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-phenylprop-2-en-1-ol?
The canonical SMILES for (E)-3-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-phenylprop-2-en-1-ol is CC(C)(C)[Si](C)(C)Oc1ccccc1/C=C/C(O)c1ccccc1.
What is the InChIKey of (E)-3-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-phenylprop-2-en-1-ol?
The InChIKey is XPHLARVCJJQMPG-FOCLMDBBSA-N. The full InChI is InChI=1S/C21H28O2Si/c1-21(2,3)24(4,5)23-20-14-10-9-13-18(20)15-16-19(22)17-11-7-6-8-12-17/h6-16,19,22H,1-5H3/b16-15+.
What are the key properties of (E)-3-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-phenylprop-2-en-1-ol?
(E)-3-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-phenylprop-2-en-1-ol has a molecular weight of 340.54 g/mol, XLogP of 5.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-phenylprop-2-en-1-ol is sourced from PubChem (CID 10925869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).