tert-butyl (Z)-3,5-diphenylpent-2-enoate

C21H24O2 — CID 118672322

IUPACtert-butyl (Z)-3,5-diphenylpent-2-enoate
SMILESCC(C)(C)OC(=O)/C=C(/CCc1ccccc1)c1ccccc1
InChIInChI=1S/C21H24O2/c1-21(2,3)23-20(22)16-19(18-12-8-5-9-13-18)15-14-17-10-6-4-7-11-17/h4-13,16H,14-15H2,1-3H3/b19-16-
InChIKeyJPYYOYIJXHRLGS-MNDPQUGUSA-N
MW308.42 g/mol
LogP5.04
Rot. Bonds5

About tert-butyl (Z)-3,5-diphenylpent-2-enoate

tert-butyl (Z)-3,5-diphenylpent-2-enoate (PubChem CID 118672322) has the molecular formula C21H24O2 and a molecular weight of 308.42 g/mol. Its IUPAC name is tert-butyl (Z)-3,5-diphenylpent-2-enoate.

Molecular Properties

Compound Nametert-butyl (Z)-3,5-diphenylpent-2-enoate
PubChem CID118672322
Molecular FormulaC21H24O2
Molecular Weight308.42 g/mol
Exact Mass308.18
IUPAC Nametert-butyl (Z)-3,5-diphenylpent-2-enoate
SMILESCC(C)(C)OC(=O)/C=C(/CCc1ccccc1)c1ccccc1
InChIInChI=1S/C21H24O2/c1-21(2,3)23-20(22)16-19(18-12-8-5-9-13-18)15-14-17-10-6-4-7-11-17/h4-13,16H,14-15H2,1-3H3/b19-16-
InChIKeyJPYYOYIJXHRLGS-MNDPQUGUSA-N
XLogP5.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.42
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl (Z)-3,5-diphenylpent-2-enoate
CID 118455591
(E)-1,1,1,4,6-pentakis-phenylhex-3-en-2-one
CID 5376836
(E)-3-[(2-methylpropan-2-yl)oxycarbonyl]-5-phenylpent-2-enoate
CID 19864050
(E)-2-methyl-3-[(2-methylpropan-2-yl)oxy]-5-phenylpent-2-enoic acid
CID 101391400
tert-butyl (E,4R,5S)-5-hydroxy-4-methyl-7-phenylhept-2-enoate
CID 102465462
tert-butyl 10-phenylmethoxy-3-(7-phenylmethoxyheptyl)dec-2-enoate
CID 177188889
tert-butyl 7-(3-phenylpropanoylsulfanyl)heptanoate
CID 163269959
benzyl carbamate;tert-butyl carbamate;3-phenylpropanoic acid
CID 143560152
3-phenylpropanoyl 3-phenylpropanoate
CID 13024780
tert-butyl carbamate;propylbenzene
CID 146635957
methyl (Z)-3-methoxy-5-phenylpent-2-enoate
CID 101474318
tert-butyl N-(2-phenylethyl)carbamate;ethane
CID 177159157

Frequently Asked Questions

What is the IUPAC name of tert-butyl (Z)-3,5-diphenylpent-2-enoate?
The IUPAC name of tert-butyl (Z)-3,5-diphenylpent-2-enoate (CID 118672322) is tert-butyl (Z)-3,5-diphenylpent-2-enoate.
What is the SMILES notation for tert-butyl (Z)-3,5-diphenylpent-2-enoate?
The canonical SMILES for tert-butyl (Z)-3,5-diphenylpent-2-enoate is CC(C)(C)OC(=O)/C=C(/CCc1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl (Z)-3,5-diphenylpent-2-enoate?
The InChIKey is JPYYOYIJXHRLGS-MNDPQUGUSA-N. The full InChI is InChI=1S/C21H24O2/c1-21(2,3)23-20(22)16-19(18-12-8-5-9-13-18)15-14-17-10-6-4-7-11-17/h4-13,16H,14-15H2,1-3H3/b19-16-.
What are the key properties of tert-butyl (Z)-3,5-diphenylpent-2-enoate?
tert-butyl (Z)-3,5-diphenylpent-2-enoate has a molecular weight of 308.42 g/mol, XLogP of 5.04, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (Z)-3,5-diphenylpent-2-enoate is sourced from PubChem (CID 118672322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).