(Z)-2-[[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-1,5-diphenylpent-2-en-4-yn-1-one

C30H32O2Si — CID 53330755

IUPAC(Z)-2-[[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-1,5-diphenylpent-2-en-4-yn-1-one
SMILESCC(C)(C)[Si](C)(C)OC(/C(=C/C#Cc1ccccc1)C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C30H32O2Si/c1-30(2,3)33(4,5)32-29(26-21-13-8-14-22-26)27(28(31)25-19-11-7-12-20-25)23-15-18-24-16-9-6-10-17-24/h6-14,16-17,19-23,29H,1-5H3/b27-23+
InChIKeyQONLWKDNNUGCRG-SLEBQGDGSA-N
MW452.67 g/mol
LogP7.61
Rot. Bonds6

About (Z)-2-[[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-1,5-diphenylpent-2-en-4-yn-1-one

(Z)-2-[[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-1,5-diphenylpent-2-en-4-yn-1-one (PubChem CID 53330755) has the molecular formula C30H32O2Si and a molecular weight of 452.67 g/mol. Its IUPAC name is (Z)-2-[[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-1,5-diphenylpent-2-en-4-yn-1-one.

Molecular Properties

Compound Name(Z)-2-[[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-1,5-diphenylpent-2-en-4-yn-1-one
PubChem CID53330755
Molecular FormulaC30H32O2Si
Molecular Weight452.67 g/mol
Exact Mass452.22
IUPAC Name(Z)-2-[[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-1,5-diphenylpent-2-en-4-yn-1-one
SMILESCC(C)(C)[Si](C)(C)OC(/C(=C/C#Cc1ccccc1)C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C30H32O2Si/c1-30(2,3)33(4,5)32-29(26-21-13-8-14-22-26)27(28(31)25-19-11-7-12-20-25)23-15-18-24-16-9-6-10-17-24/h6-14,16-17,19-23,29H,1-5H3/b27-23+
InChIKeyQONLWKDNNUGCRG-SLEBQGDGSA-N
XLogP7.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.67
LogP ≤ 57.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-[tert-butyl(dimethyl)silyl]oxy-1-phenyl-2-pyridin-4-ylethanone
CID 10758614
3-[[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]but-3-en-2-one
CID 102483532
1-[tert-butyl(dimethyl)silyl]oxy-1-phenyl-3-phenylsulfanylpropan-2-one
CID 138977697
(E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxo-5-phenylpent-2-enal
CID 135026287
methyl 3-[(R)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-2-oxobut-3-enoate
CID 45142046
2-[tert-butyl(dimethyl)silyl]oxy-2-(4-methylphenyl)-N-phenylacetamide
CID 12968566
2-[tert-butyl(dimethyl)silyl]oxy-2-(4-chlorophenyl)acetic acid
CID 70132721
methyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-iodo-3-phenylpropanoate
CID 101058380
methyl 2-[tert-butyl(dimethyl)silyl]oxy-3-phenylsulfanylpropanoate
CID 11674267
tert-butyl (2S,3S)-2-benzamido-3-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropanoate
CID 11590604
(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-4,4-dichloro-2-methyl-1-phenylpentan-3-one
CID 15444578
methyl (2S,3R,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-oxo-3-phenylpentanoate
CID 11046348

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-1,5-diphenylpent-2-en-4-yn-1-one?
The IUPAC name of (Z)-2-[[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-1,5-diphenylpent-2-en-4-yn-1-one (CID 53330755) is (Z)-2-[[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-1,5-diphenylpent-2-en-4-yn-1-one.
What is the SMILES notation for (Z)-2-[[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-1,5-diphenylpent-2-en-4-yn-1-one?
The canonical SMILES for (Z)-2-[[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-1,5-diphenylpent-2-en-4-yn-1-one is CC(C)(C)[Si](C)(C)OC(/C(=C/C#Cc1ccccc1)C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of (Z)-2-[[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-1,5-diphenylpent-2-en-4-yn-1-one?
The InChIKey is QONLWKDNNUGCRG-SLEBQGDGSA-N. The full InChI is InChI=1S/C30H32O2Si/c1-30(2,3)33(4,5)32-29(26-21-13-8-14-22-26)27(28(31)25-19-11-7-12-20-25)23-15-18-24-16-9-6-10-17-24/h6-14,16-17,19-23,29H,1-5H3/b27-23+.
What are the key properties of (Z)-2-[[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-1,5-diphenylpent-2-en-4-yn-1-one?
(Z)-2-[[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-1,5-diphenylpent-2-en-4-yn-1-one has a molecular weight of 452.67 g/mol, XLogP of 7.61, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-1,5-diphenylpent-2-en-4-yn-1-one is sourced from PubChem (CID 53330755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).