(1E,3S,4S,5E)-4-[tert-butyl(dimethyl)silyl]oxy-1,6-diphenylhexa-1,5-dien-3-ol

C24H32O2Si — CID 102328317

IUPAC(1E,3S,4S,5E)-4-[tert-butyl(dimethyl)silyl]oxy-1,6-diphenylhexa-1,5-dien-3-ol
SMILESCC(C)(C)[Si](C)(C)O[C@@H](/C=C/c1ccccc1)[C@@H](O)/C=C/c1ccccc1
InChIInChI=1S/C24H32O2Si/c1-24(2,3)27(4,5)26-23(19-17-21-14-10-7-11-15-21)22(25)18-16-20-12-8-6-9-13-20/h6-19,22-23,25H,1-5H3/b18-16+,19-17+/t22-,23-/m0/s1
InChIKeyDOSZADUWDBVMAD-CHCWKLOASA-N
MW380.60 g/mol
LogP6.16
Rot. Bonds7

About (1E,3S,4S,5E)-4-[tert-butyl(dimethyl)silyl]oxy-1,6-diphenylhexa-1,5-dien-3-ol

(1E,3S,4S,5E)-4-[tert-butyl(dimethyl)silyl]oxy-1,6-diphenylhexa-1,5-dien-3-ol (PubChem CID 102328317) has the molecular formula C24H32O2Si and a molecular weight of 380.60 g/mol. Its IUPAC name is (1E,3S,4S,5E)-4-[tert-butyl(dimethyl)silyl]oxy-1,6-diphenylhexa-1,5-dien-3-ol.

Molecular Properties

Compound Name(1E,3S,4S,5E)-4-[tert-butyl(dimethyl)silyl]oxy-1,6-diphenylhexa-1,5-dien-3-ol
PubChem CID102328317
Molecular FormulaC24H32O2Si
Molecular Weight380.60 g/mol
Exact Mass380.22
IUPAC Name(1E,3S,4S,5E)-4-[tert-butyl(dimethyl)silyl]oxy-1,6-diphenylhexa-1,5-dien-3-ol
SMILESCC(C)(C)[Si](C)(C)O[C@@H](/C=C/c1ccccc1)[C@@H](O)/C=C/c1ccccc1
InChIInChI=1S/C24H32O2Si/c1-24(2,3)27(4,5)26-23(19-17-21-14-10-7-11-15-21)22(25)18-16-20-12-8-6-9-13-20/h6-19,22-23,25H,1-5H3/b18-16+,19-17+/t22-,23-/m0/s1
InChIKeyDOSZADUWDBVMAD-CHCWKLOASA-N
XLogP6.16
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.60
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1E,3S,4S,5E)-4-[tert-butyl(dimethyl)silyl]oxy-1,6-diphenylhexa-1,5-dien-3-ol with MolForge

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Related Compounds

(E,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,5-diphenylpent-4-en-1-ol
CID 11545158
tert-butyl-dimethyl-[(E,2S)-1,1,1-trifluoro-4-phenylbut-3-en-2-yl]oxysilane
CID 10980030
(E)-1-[tert-butyl(dimethyl)silyl]oxy-4-phenylbut-3-en-2-ol
CID 11587217
(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpent-4-en-1-ol
CID 101421938
(E)-5-[tert-butyl(dimethyl)silyl]oxy-5-ethoxy-4,4-dimethyl-1-phenylpent-1-en-3-ol
CID 14894503
(2E,4R,5S,6E)-5-[tert-butyl(dimethyl)silyl]oxyocta-2,6-dien-4-ol
CID 10706254
tert-butyl-[(1E,3R,4S,5Z)-5-hexylsulfanyl-4-methyl-1-phenylhepta-1,5-dien-3-yl]oxy-dimethylsilane
CID 102354642
tert-butyl-dimethyl-(2-phenylethenoxy)silane
CID 10466833
tert-butyl-[(Z,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-phenylhex-5-enoxy]-dimethylsilane
CID 177383661
(E)-2-methyl-5-phenylpent-4-ene-1,3-diol
CID 89050087
(E,2S)-1,1,1-tribromo-4-phenylbut-3-en-2-ol
CID 129409004
tert-butyl-[(E)-2,3-dibromo-5-phenylpent-4-enoxy]-dimethylsilane
CID 169094383

Frequently Asked Questions

What is the IUPAC name of (1E,3S,4S,5E)-4-[tert-butyl(dimethyl)silyl]oxy-1,6-diphenylhexa-1,5-dien-3-ol?
The IUPAC name of (1E,3S,4S,5E)-4-[tert-butyl(dimethyl)silyl]oxy-1,6-diphenylhexa-1,5-dien-3-ol (CID 102328317) is (1E,3S,4S,5E)-4-[tert-butyl(dimethyl)silyl]oxy-1,6-diphenylhexa-1,5-dien-3-ol.
What is the SMILES notation for (1E,3S,4S,5E)-4-[tert-butyl(dimethyl)silyl]oxy-1,6-diphenylhexa-1,5-dien-3-ol?
The canonical SMILES for (1E,3S,4S,5E)-4-[tert-butyl(dimethyl)silyl]oxy-1,6-diphenylhexa-1,5-dien-3-ol is CC(C)(C)[Si](C)(C)O[C@@H](/C=C/c1ccccc1)[C@@H](O)/C=C/c1ccccc1.
What is the InChIKey of (1E,3S,4S,5E)-4-[tert-butyl(dimethyl)silyl]oxy-1,6-diphenylhexa-1,5-dien-3-ol?
The InChIKey is DOSZADUWDBVMAD-CHCWKLOASA-N. The full InChI is InChI=1S/C24H32O2Si/c1-24(2,3)27(4,5)26-23(19-17-21-14-10-7-11-15-21)22(25)18-16-20-12-8-6-9-13-20/h6-19,22-23,25H,1-5H3/b18-16+,19-17+/t22-,23-/m0/s1.
What are the key properties of (1E,3S,4S,5E)-4-[tert-butyl(dimethyl)silyl]oxy-1,6-diphenylhexa-1,5-dien-3-ol?
(1E,3S,4S,5E)-4-[tert-butyl(dimethyl)silyl]oxy-1,6-diphenylhexa-1,5-dien-3-ol has a molecular weight of 380.60 g/mol, XLogP of 6.16, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3S,4S,5E)-4-[tert-butyl(dimethyl)silyl]oxy-1,6-diphenylhexa-1,5-dien-3-ol is sourced from PubChem (CID 102328317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).