(E)-6-[tert-butyl(diphenyl)silyl]oxy-2-[3-(trifluoromethyl)phenyl]hex-3-en-2-ol

C29H33F3O2Si — CID 11260512

IUPAC(E)-6-[tert-butyl(diphenyl)silyl]oxy-2-[3-(trifluoromethyl)phenyl]hex-3-en-2-ol
SMILESCC(O)(/C=C/CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C29H33F3O2Si/c1-27(2,3)35(25-16-7-5-8-17-25,26-18-9-6-10-19-26)34-21-12-11-20-28(4,33)23-14-13-15-24(22-23)29(30,31)32/h5-11,13-20,22,33H,12,21H2,1-4H3/b20-11+
InChIKeyRHWBNZLUDZSKEL-RGVLZGJSSA-N
MW498.66 g/mol
LogP6.44
Rot. Bonds8

About (E)-6-[tert-butyl(diphenyl)silyl]oxy-2-[3-(trifluoromethyl)phenyl]hex-3-en-2-ol

(E)-6-[tert-butyl(diphenyl)silyl]oxy-2-[3-(trifluoromethyl)phenyl]hex-3-en-2-ol (PubChem CID 11260512) has the molecular formula C29H33F3O2Si and a molecular weight of 498.66 g/mol. Its IUPAC name is (E)-6-[tert-butyl(diphenyl)silyl]oxy-2-[3-(trifluoromethyl)phenyl]hex-3-en-2-ol.

Molecular Properties

Compound Name(E)-6-[tert-butyl(diphenyl)silyl]oxy-2-[3-(trifluoromethyl)phenyl]hex-3-en-2-ol
PubChem CID11260512
Molecular FormulaC29H33F3O2Si
Molecular Weight498.66 g/mol
Exact Mass498.22
IUPAC Name(E)-6-[tert-butyl(diphenyl)silyl]oxy-2-[3-(trifluoromethyl)phenyl]hex-3-en-2-ol
SMILESCC(O)(/C=C/CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C29H33F3O2Si/c1-27(2,3)35(25-16-7-5-8-17-25,26-18-9-6-10-19-26)34-21-12-11-20-28(4,33)23-14-13-15-24(22-23)29(30,31)32/h5-11,13-20,22,33H,12,21H2,1-4H3/b20-11+
InChIKeyRHWBNZLUDZSKEL-RGVLZGJSSA-N
XLogP6.44
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.66
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[(E)-6-iodohex-3-enoxy]-diphenylsilane
CID 11016054
4-[tert-butyl(diphenyl)silyl]oxy-1,1-diphenylbutan-1-ol
CID 165343479
tert-butyl-diphenyl-undec-10-enoxysilane
CID 25058521
(Z)-11-[tert-butyl(diphenyl)silyl]oxyundec-5-en-1-ol
CID 90098390
(E,3S)-1-[tert-butyl(diphenyl)silyl]oxy-7-iodohept-6-en-3-ol
CID 155931189
7-[tert-butyl(diphenyl)silyl]oxy-2-methylheptan-2-ol
CID 102173958
tert-butyl-(2-iodoethoxy)-diphenylsilane
CID 11269862
tert-butyl-[(E)-dec-5-enoxy]-diphenylsilane
CID 11188599
tert-butyl-(6-chlorohex-4-enoxy)-diphenylsilane
CID 71404440
(E,2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-7-[tert-butyl(diphenyl)silyl]oxyhept-4-en-3-ol
CID 102257239
tert-butyl-[(E)-4-methylhept-3-en-6-ynoxy]-diphenylsilane
CID 10546631
3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol;propane-1,3-diol
CID 161331009

Frequently Asked Questions

What is the IUPAC name of (E)-6-[tert-butyl(diphenyl)silyl]oxy-2-[3-(trifluoromethyl)phenyl]hex-3-en-2-ol?
The IUPAC name of (E)-6-[tert-butyl(diphenyl)silyl]oxy-2-[3-(trifluoromethyl)phenyl]hex-3-en-2-ol (CID 11260512) is (E)-6-[tert-butyl(diphenyl)silyl]oxy-2-[3-(trifluoromethyl)phenyl]hex-3-en-2-ol.
What is the SMILES notation for (E)-6-[tert-butyl(diphenyl)silyl]oxy-2-[3-(trifluoromethyl)phenyl]hex-3-en-2-ol?
The canonical SMILES for (E)-6-[tert-butyl(diphenyl)silyl]oxy-2-[3-(trifluoromethyl)phenyl]hex-3-en-2-ol is CC(O)(/C=C/CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)c1cccc(C(F)(F)F)c1.
What is the InChIKey of (E)-6-[tert-butyl(diphenyl)silyl]oxy-2-[3-(trifluoromethyl)phenyl]hex-3-en-2-ol?
The InChIKey is RHWBNZLUDZSKEL-RGVLZGJSSA-N. The full InChI is InChI=1S/C29H33F3O2Si/c1-27(2,3)35(25-16-7-5-8-17-25,26-18-9-6-10-19-26)34-21-12-11-20-28(4,33)23-14-13-15-24(22-23)29(30,31)32/h5-11,13-20,22,33H,12,21H2,1-4H3/b20-11+.
What are the key properties of (E)-6-[tert-butyl(diphenyl)silyl]oxy-2-[3-(trifluoromethyl)phenyl]hex-3-en-2-ol?
(E)-6-[tert-butyl(diphenyl)silyl]oxy-2-[3-(trifluoromethyl)phenyl]hex-3-en-2-ol has a molecular weight of 498.66 g/mol, XLogP of 6.44, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-[tert-butyl(diphenyl)silyl]oxy-2-[3-(trifluoromethyl)phenyl]hex-3-en-2-ol is sourced from PubChem (CID 11260512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).