(E)-5-[tert-butyl(diphenyl)silyl]oxy-2,2-difluoro-1-phenylpent-3-en-1-ol

C27H30F2O2Si — CID 101394418

IUPAC(E)-5-[tert-butyl(diphenyl)silyl]oxy-2,2-difluoro-1-phenylpent-3-en-1-ol
SMILESCC(C)(C)[Si](OC/C=C/C(F)(F)C(O)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H30F2O2Si/c1-26(2,3)32(23-16-9-5-10-17-23,24-18-11-6-12-19-24)31-21-13-20-27(28,29)25(30)22-14-7-4-8-15-22/h4-20,25,30H,21H2,1-3H3/b20-13+
InChIKeyGUSWDXIMTPAPMS-DEDYPNTBSA-N
MW452.62 g/mol
LogP5.49
Rot. Bonds8

About (E)-5-[tert-butyl(diphenyl)silyl]oxy-2,2-difluoro-1-phenylpent-3-en-1-ol

(E)-5-[tert-butyl(diphenyl)silyl]oxy-2,2-difluoro-1-phenylpent-3-en-1-ol (PubChem CID 101394418) has the molecular formula C27H30F2O2Si and a molecular weight of 452.62 g/mol. Its IUPAC name is (E)-5-[tert-butyl(diphenyl)silyl]oxy-2,2-difluoro-1-phenylpent-3-en-1-ol.

Molecular Properties

Compound Name(E)-5-[tert-butyl(diphenyl)silyl]oxy-2,2-difluoro-1-phenylpent-3-en-1-ol
PubChem CID101394418
Molecular FormulaC27H30F2O2Si
Molecular Weight452.62 g/mol
Exact Mass452.20
IUPAC Name(E)-5-[tert-butyl(diphenyl)silyl]oxy-2,2-difluoro-1-phenylpent-3-en-1-ol
SMILESCC(C)(C)[Si](OC/C=C/C(F)(F)C(O)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H30F2O2Si/c1-26(2,3)32(23-16-9-5-10-17-23,24-18-11-6-12-19-24)31-21-13-20-27(28,29)25(30)22-14-7-4-8-15-22/h4-20,25,30H,21H2,1-3H3/b20-13+
InChIKeyGUSWDXIMTPAPMS-DEDYPNTBSA-N
XLogP5.49
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.62
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E,2R)-5-[tert-butyl(diphenyl)silyl]oxypent-3-en-2-ol
CID 25223642
4-[tert-butyl(diphenyl)silyl]oxybut-2-enyl 2-methylpropanoate
CID 66656955
(E)-4-[tert-butyl(diphenyl)silyl]oxybut-2-enal
CID 10860332
(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropanal
CID 11348036
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
(E)-4-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-1-(4-fluorophenyl)but-2-en-1-ol
CID 102228376
4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobut-2-en-1-ol
CID 66982894
(E)-6-[tert-butyl(diphenyl)silyl]oxyhex-4-enal
CID 11089492
(Z)-6-[tert-butyl(diphenyl)silyl]oxy-4-[hydroxy(phenyl)methyl]hex-4-en-3-one
CID 15942434
(Z)-2,2-difluoro-1-phenyldec-3-en-1-ol
CID 102600669
(E)-2,2-difluoro-1-phenyldec-3-en-1-ol
CID 11821614
tert-butyl-[(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxy-1,2-diphenylethoxy]-diphenylsilane
CID 11028852

Frequently Asked Questions

What is the IUPAC name of (E)-5-[tert-butyl(diphenyl)silyl]oxy-2,2-difluoro-1-phenylpent-3-en-1-ol?
The IUPAC name of (E)-5-[tert-butyl(diphenyl)silyl]oxy-2,2-difluoro-1-phenylpent-3-en-1-ol (CID 101394418) is (E)-5-[tert-butyl(diphenyl)silyl]oxy-2,2-difluoro-1-phenylpent-3-en-1-ol.
What is the SMILES notation for (E)-5-[tert-butyl(diphenyl)silyl]oxy-2,2-difluoro-1-phenylpent-3-en-1-ol?
The canonical SMILES for (E)-5-[tert-butyl(diphenyl)silyl]oxy-2,2-difluoro-1-phenylpent-3-en-1-ol is CC(C)(C)[Si](OC/C=C/C(F)(F)C(O)c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-5-[tert-butyl(diphenyl)silyl]oxy-2,2-difluoro-1-phenylpent-3-en-1-ol?
The InChIKey is GUSWDXIMTPAPMS-DEDYPNTBSA-N. The full InChI is InChI=1S/C27H30F2O2Si/c1-26(2,3)32(23-16-9-5-10-17-23,24-18-11-6-12-19-24)31-21-13-20-27(28,29)25(30)22-14-7-4-8-15-22/h4-20,25,30H,21H2,1-3H3/b20-13+.
What are the key properties of (E)-5-[tert-butyl(diphenyl)silyl]oxy-2,2-difluoro-1-phenylpent-3-en-1-ol?
(E)-5-[tert-butyl(diphenyl)silyl]oxy-2,2-difluoro-1-phenylpent-3-en-1-ol has a molecular weight of 452.62 g/mol, XLogP of 5.49, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-[tert-butyl(diphenyl)silyl]oxy-2,2-difluoro-1-phenylpent-3-en-1-ol is sourced from PubChem (CID 101394418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).