(E)-6-[tert-butyl(diphenyl)silyl]oxy-1-phenylhex-1-en-4-yn-3-one

C28H28O2Si — CID 10387661

IUPAC(E)-6-[tert-butyl(diphenyl)silyl]oxy-1-phenylhex-1-en-4-yn-3-one
SMILESCC(C)(C)[Si](OCC#CC(=O)/C=C/c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H28O2Si/c1-28(2,3)31(26-17-9-5-10-18-26,27-19-11-6-12-20-27)30-23-13-16-25(29)22-21-24-14-7-4-8-15-24/h4-12,14-15,17-22H,23H2,1-3H3/b22-21+
InChIKeyMWVBPXJIAWCUGZ-QURGRASLSA-N
MW424.62 g/mol
LogP4.85
Rot. Bonds6

About (E)-6-[tert-butyl(diphenyl)silyl]oxy-1-phenylhex-1-en-4-yn-3-one

(E)-6-[tert-butyl(diphenyl)silyl]oxy-1-phenylhex-1-en-4-yn-3-one (PubChem CID 10387661) has the molecular formula C28H28O2Si and a molecular weight of 424.62 g/mol. Its IUPAC name is (E)-6-[tert-butyl(diphenyl)silyl]oxy-1-phenylhex-1-en-4-yn-3-one.

Molecular Properties

Compound Name(E)-6-[tert-butyl(diphenyl)silyl]oxy-1-phenylhex-1-en-4-yn-3-one
PubChem CID10387661
Molecular FormulaC28H28O2Si
Molecular Weight424.62 g/mol
Exact Mass424.19
IUPAC Name(E)-6-[tert-butyl(diphenyl)silyl]oxy-1-phenylhex-1-en-4-yn-3-one
SMILESCC(C)(C)[Si](OCC#CC(=O)/C=C/c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H28O2Si/c1-28(2,3)31(26-17-9-5-10-18-26,27-19-11-6-12-20-27)30-23-13-16-25(29)22-21-24-14-7-4-8-15-24/h4-12,14-15,17-22H,23H2,1-3H3/b22-21+
InChIKeyMWVBPXJIAWCUGZ-QURGRASLSA-N
XLogP4.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.62
LogP ≤ 54.85
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': 'Michael_acceptor_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-[tert-butyl(diphenyl)silyl]oxybut-2-ynyl methanesulfonate
CID 141229051
2-[tert-butyl(diphenyl)silyl]oxyacetic acid
CID 11141564
2-[2-(4-aminophenyl)ethenyl]-4-[tert-butyl(diphenyl)silyl]oxybut-2-enoic acid
CID 123782818
(E)-1-phenylhex-1-en-4-yn-3-one
CID 10103580
1-phenyl-5-trimethylsilylpent-1-en-4-yn-3-one
CID 71332412
(2E)-2-benzylidene-5-[tert-butyl(diphenyl)silyl]oxypentanal
CID 71605137
N-[(E,2R)-1-[tert-butyl(diphenyl)silyl]oxy-4-oxo-6-phenylhex-5-en-2-yl]-2-methylpropane-2-sulfinamide
CID 132537284
(3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbut-1-en-1-one
CID 87903767
methyl 5-[tert-butyl(diphenyl)silyl]oxypent-2-ynoate
CID 10926656
magnesium;tert-butyl-diphenyl-prop-2-ynoxysilane;bromide
CID 10916308
6-[tert-butyl(diphenyl)silyl]oxy-1,1,1-trifluorohex-3-yn-2-one
CID 10644927
2-[[tert-butyl(diphenyl)silyl]oxymethyl]prop-2-enoic acid
CID 67253789

Frequently Asked Questions

What is the IUPAC name of (E)-6-[tert-butyl(diphenyl)silyl]oxy-1-phenylhex-1-en-4-yn-3-one?
The IUPAC name of (E)-6-[tert-butyl(diphenyl)silyl]oxy-1-phenylhex-1-en-4-yn-3-one (CID 10387661) is (E)-6-[tert-butyl(diphenyl)silyl]oxy-1-phenylhex-1-en-4-yn-3-one.
What is the SMILES notation for (E)-6-[tert-butyl(diphenyl)silyl]oxy-1-phenylhex-1-en-4-yn-3-one?
The canonical SMILES for (E)-6-[tert-butyl(diphenyl)silyl]oxy-1-phenylhex-1-en-4-yn-3-one is CC(C)(C)[Si](OCC#CC(=O)/C=C/c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-6-[tert-butyl(diphenyl)silyl]oxy-1-phenylhex-1-en-4-yn-3-one?
The InChIKey is MWVBPXJIAWCUGZ-QURGRASLSA-N. The full InChI is InChI=1S/C28H28O2Si/c1-28(2,3)31(26-17-9-5-10-18-26,27-19-11-6-12-20-27)30-23-13-16-25(29)22-21-24-14-7-4-8-15-24/h4-12,14-15,17-22H,23H2,1-3H3/b22-21+.
What are the key properties of (E)-6-[tert-butyl(diphenyl)silyl]oxy-1-phenylhex-1-en-4-yn-3-one?
(E)-6-[tert-butyl(diphenyl)silyl]oxy-1-phenylhex-1-en-4-yn-3-one has a molecular weight of 424.62 g/mol, XLogP of 4.85, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-[tert-butyl(diphenyl)silyl]oxy-1-phenylhex-1-en-4-yn-3-one is sourced from PubChem (CID 10387661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).