(E)-4-hydroxy-3-[4-[[4-[(E)-2-hydroxy-4-oxopent-2-en-3-yl]phenyl]-dimethylsilyl]phenyl]pent-3-en-2-one

C24H28O4Si — CID 177469441

IUPAC(E)-4-hydroxy-3-[4-[[4-[(E)-2-hydroxy-4-oxopent-2-en-3-yl]phenyl]-dimethylsilyl]phenyl]pent-3-en-2-one
SMILESCC(=O)/C(=C(\C)O)c1ccc([Si](C)(C)c2ccc(/C(C(C)=O)=C(/C)O)cc2)cc1
InChIInChI=1S/C24H28O4Si/c1-15(25)23(16(2)26)19-7-11-21(12-8-19)29(5,6)22-13-9-20(10-14-22)24(17(3)27)18(4)28/h7-14,25,27H,1-6H3/b23-15-,24-17-
InChIKeyNHJWOKFAGARXGP-XBZAHUCRSA-N
MW408.57 g/mol
LogP4.27
Rot. Bonds6

About (E)-4-hydroxy-3-[4-[[4-[(E)-2-hydroxy-4-oxopent-2-en-3-yl]phenyl]-dimethylsilyl]phenyl]pent-3-en-2-one

(E)-4-hydroxy-3-[4-[[4-[(E)-2-hydroxy-4-oxopent-2-en-3-yl]phenyl]-dimethylsilyl]phenyl]pent-3-en-2-one (PubChem CID 177469441) has the molecular formula C24H28O4Si and a molecular weight of 408.57 g/mol. Its IUPAC name is (E)-4-hydroxy-3-[4-[[4-[(E)-2-hydroxy-4-oxopent-2-en-3-yl]phenyl]-dimethylsilyl]phenyl]pent-3-en-2-one.

Molecular Properties

Compound Name(E)-4-hydroxy-3-[4-[[4-[(E)-2-hydroxy-4-oxopent-2-en-3-yl]phenyl]-dimethylsilyl]phenyl]pent-3-en-2-one
PubChem CID177469441
Molecular FormulaC24H28O4Si
Molecular Weight408.57 g/mol
Exact Mass408.18
IUPAC Name(E)-4-hydroxy-3-[4-[[4-[(E)-2-hydroxy-4-oxopent-2-en-3-yl]phenyl]-dimethylsilyl]phenyl]pent-3-en-2-one
SMILESCC(=O)/C(=C(\C)O)c1ccc([Si](C)(C)c2ccc(/C(C(C)=O)=C(/C)O)cc2)cc1
InChIInChI=1S/C24H28O4Si/c1-15(25)23(16(2)26)19-7-11-21(12-8-19)29(5,6)22-13-9-20(10-14-22)24(17(3)27)18(4)28/h7-14,25,27H,1-6H3/b23-15-,24-17-
InChIKeyNHJWOKFAGARXGP-XBZAHUCRSA-N
XLogP4.27
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.57
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-[dimethyl(phenyl)silyl]benzoic acid
CID 142466925
(Z)-5-hydroxy-4-[4-[[4-[(Z)-3-hydroxy-5-oxohept-3-en-4-yl]phenyl]-dimethylsilyl]phenyl]hept-4-en-3-one
CID 139102710
4-[(4-hydroxyphenyl)-dimethylsilyl]phenol
CID 23496528
4-[dimethyl(phenyl)silyl]phenol
CID 12582127
ethyl 4-[dimethyl(phenyl)silyl]benzoate
CID 86233969
3-hydroxy-4-phenylhex-3-ene-2,5-dione
CID 76816910
4-[[4-[[4-[(4-carboxyphenyl)carbamoyl]phenyl]-dimethylsilyl]benzoyl]amino]benzoic acid
CID 102014802
(Z)-5,5,5-trifluoro-4-hydroxy-3-phenylpent-3-en-2-one
CID 10962887
3-[dimethyl(phenyl)silyl]benzoic acid
CID 134100094
(Z)-4-hydroxy-3-(5-methylfuran-2-yl)pent-3-en-2-one
CID 10375022
1-[4-tris(4-acetylphenyl)silylphenyl]ethanone
CID 149009059
O-[4-[4-[dimethyl(phenyl)silyl]benzoyl]phenyl] methanethioate
CID 21417857

Frequently Asked Questions

What is the IUPAC name of (E)-4-hydroxy-3-[4-[[4-[(E)-2-hydroxy-4-oxopent-2-en-3-yl]phenyl]-dimethylsilyl]phenyl]pent-3-en-2-one?
The IUPAC name of (E)-4-hydroxy-3-[4-[[4-[(E)-2-hydroxy-4-oxopent-2-en-3-yl]phenyl]-dimethylsilyl]phenyl]pent-3-en-2-one (CID 177469441) is (E)-4-hydroxy-3-[4-[[4-[(E)-2-hydroxy-4-oxopent-2-en-3-yl]phenyl]-dimethylsilyl]phenyl]pent-3-en-2-one.
What is the SMILES notation for (E)-4-hydroxy-3-[4-[[4-[(E)-2-hydroxy-4-oxopent-2-en-3-yl]phenyl]-dimethylsilyl]phenyl]pent-3-en-2-one?
The canonical SMILES for (E)-4-hydroxy-3-[4-[[4-[(E)-2-hydroxy-4-oxopent-2-en-3-yl]phenyl]-dimethylsilyl]phenyl]pent-3-en-2-one is CC(=O)/C(=C(\C)O)c1ccc([Si](C)(C)c2ccc(/C(C(C)=O)=C(/C)O)cc2)cc1.
What is the InChIKey of (E)-4-hydroxy-3-[4-[[4-[(E)-2-hydroxy-4-oxopent-2-en-3-yl]phenyl]-dimethylsilyl]phenyl]pent-3-en-2-one?
The InChIKey is NHJWOKFAGARXGP-XBZAHUCRSA-N. The full InChI is InChI=1S/C24H28O4Si/c1-15(25)23(16(2)26)19-7-11-21(12-8-19)29(5,6)22-13-9-20(10-14-22)24(17(3)27)18(4)28/h7-14,25,27H,1-6H3/b23-15-,24-17-.
What are the key properties of (E)-4-hydroxy-3-[4-[[4-[(E)-2-hydroxy-4-oxopent-2-en-3-yl]phenyl]-dimethylsilyl]phenyl]pent-3-en-2-one?
(E)-4-hydroxy-3-[4-[[4-[(E)-2-hydroxy-4-oxopent-2-en-3-yl]phenyl]-dimethylsilyl]phenyl]pent-3-en-2-one has a molecular weight of 408.57 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-hydroxy-3-[4-[[4-[(E)-2-hydroxy-4-oxopent-2-en-3-yl]phenyl]-dimethylsilyl]phenyl]pent-3-en-2-one is sourced from PubChem (CID 177469441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).