methyl (2E)-4-[tert-butyl(dimethyl)silyl]oxy-4-methyl-2-phenylhexa-2,5-dienoate

C20H30O3Si — CID 132570844

IUPACmethyl (2E)-4-[tert-butyl(dimethyl)silyl]oxy-4-methyl-2-phenylhexa-2,5-dienoate
SMILESC=CC(C)(/C=C(/C(=O)OC)c1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H30O3Si/c1-9-20(5,23-24(7,8)19(2,3)4)15-17(18(21)22-6)16-13-11-10-12-14-16/h9-15H,1H2,2-8H3/b17-15+
InChIKeySNRWTSGVGUCGJN-BMRADRMJSA-N
MW346.54 g/mol
LogP5.21
Rot. Bonds6

About methyl (2E)-4-[tert-butyl(dimethyl)silyl]oxy-4-methyl-2-phenylhexa-2,5-dienoate

methyl (2E)-4-[tert-butyl(dimethyl)silyl]oxy-4-methyl-2-phenylhexa-2,5-dienoate (PubChem CID 132570844) has the molecular formula C20H30O3Si and a molecular weight of 346.54 g/mol. Its IUPAC name is methyl (2E)-4-[tert-butyl(dimethyl)silyl]oxy-4-methyl-2-phenylhexa-2,5-dienoate.

Molecular Properties

Compound Namemethyl (2E)-4-[tert-butyl(dimethyl)silyl]oxy-4-methyl-2-phenylhexa-2,5-dienoate
PubChem CID132570844
Molecular FormulaC20H30O3Si
Molecular Weight346.54 g/mol
Exact Mass346.20
IUPAC Namemethyl (2E)-4-[tert-butyl(dimethyl)silyl]oxy-4-methyl-2-phenylhexa-2,5-dienoate
SMILESC=CC(C)(/C=C(/C(=O)OC)c1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H30O3Si/c1-9-20(5,23-24(7,8)19(2,3)4)15-17(18(21)22-6)16-13-11-10-12-14-16/h9-15H,1H2,2-8H3/b17-15+
InChIKeySNRWTSGVGUCGJN-BMRADRMJSA-N
XLogP5.21
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.54
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (2E)-2-phenylpenta-2,4-dienoate
CID 102389363
methyl 2-phenylpenta-2,4-dienoate
CID 73023142
methyl (E)-3-fluoro-2-phenylprop-2-enoate
CID 10607451
methyl (Z)-4-hydroperoxy-4-methoxy-2,4-diphenylbut-2-enoate
CID 15063123
ethyl (Z)-3-[tert-butyl(dimethyl)silyl]oxy-2-phenylprop-2-enoate
CID 11844681
(E)-3-[5-[(E)-3-methoxy-3-oxo-2-phenylprop-1-enyl]furan-2-yl]-2-phenylprop-2-enoic acid
CID 5386472
methyl 3-[(R)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-2-oxobut-3-enoate
CID 45142046
benzoic acid;bis(methyl 2-methylprop-2-enoate)
CID 91475407
methyl (E)-2-phenyl-3-pyridin-3-ylprop-2-enoate
CID 5376942
2-methylbut-3-en-2-yl 2-oxo-2-phenylacetate
CID 10584906
methyl (E)-2,5-diphenylpent-2-enoate
CID 24795397
methyl (E)-3-(4-bromophenyl)-2-phenylprop-2-enoate
CID 102281008

Frequently Asked Questions

What is the IUPAC name of methyl (2E)-4-[tert-butyl(dimethyl)silyl]oxy-4-methyl-2-phenylhexa-2,5-dienoate?
The IUPAC name of methyl (2E)-4-[tert-butyl(dimethyl)silyl]oxy-4-methyl-2-phenylhexa-2,5-dienoate (CID 132570844) is methyl (2E)-4-[tert-butyl(dimethyl)silyl]oxy-4-methyl-2-phenylhexa-2,5-dienoate.
What is the SMILES notation for methyl (2E)-4-[tert-butyl(dimethyl)silyl]oxy-4-methyl-2-phenylhexa-2,5-dienoate?
The canonical SMILES for methyl (2E)-4-[tert-butyl(dimethyl)silyl]oxy-4-methyl-2-phenylhexa-2,5-dienoate is C=CC(C)(/C=C(/C(=O)OC)c1ccccc1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (2E)-4-[tert-butyl(dimethyl)silyl]oxy-4-methyl-2-phenylhexa-2,5-dienoate?
The InChIKey is SNRWTSGVGUCGJN-BMRADRMJSA-N. The full InChI is InChI=1S/C20H30O3Si/c1-9-20(5,23-24(7,8)19(2,3)4)15-17(18(21)22-6)16-13-11-10-12-14-16/h9-15H,1H2,2-8H3/b17-15+.
What are the key properties of methyl (2E)-4-[tert-butyl(dimethyl)silyl]oxy-4-methyl-2-phenylhexa-2,5-dienoate?
methyl (2E)-4-[tert-butyl(dimethyl)silyl]oxy-4-methyl-2-phenylhexa-2,5-dienoate has a molecular weight of 346.54 g/mol, XLogP of 5.21, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E)-4-[tert-butyl(dimethyl)silyl]oxy-4-methyl-2-phenylhexa-2,5-dienoate is sourced from PubChem (CID 132570844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).