2-(4-methylphenyl)ethenyl 2-methylpent-2-enoate

C15H18O2 — CID 70448768

IUPAC2-(4-methylphenyl)ethenyl 2-methylpent-2-enoate
SMILESCCC=C(C)C(=O)OC=Cc1ccc(C)cc1
InChIInChI=1S/C15H18O2/c1-4-5-13(3)15(16)17-11-10-14-8-6-12(2)7-9-14/h5-11H,4H2,1-3H3
InChIKeyZWEFYKNANJHXIX-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.87
Rot. Bonds4

About 2-(4-methylphenyl)ethenyl 2-methylpent-2-enoate

2-(4-methylphenyl)ethenyl 2-methylpent-2-enoate (PubChem CID 70448768) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-(4-methylphenyl)ethenyl 2-methylpent-2-enoate.

Molecular Properties

Compound Name2-(4-methylphenyl)ethenyl 2-methylpent-2-enoate
PubChem CID70448768
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name2-(4-methylphenyl)ethenyl 2-methylpent-2-enoate
SMILESCCC=C(C)C(=O)OC=Cc1ccc(C)cc1
InChIInChI=1S/C15H18O2/c1-4-5-13(3)15(16)17-11-10-14-8-6-12(2)7-9-14/h5-11H,4H2,1-3H3
InChIKeyZWEFYKNANJHXIX-UHFFFAOYSA-N
XLogP3.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-phenylethenyl 2-oxobutanoate
CID 68843055
ethyl (E)-2-methylpent-2-enoate
CID 6436311
(4-ethoxyphenyl) 2-methylpent-2-enoate
CID 175299666
ethyl 4-[2-(4-methylphenyl)ethenyl]benzoate
CID 176726544
formaldehyde;1-[(E)-2-methoxyethenyl]-4-methylbenzene
CID 145155759
[(2S)-2-methyl-4-(4-methylphenyl)but-3-enyl] acetate
CID 174059188
2-(4-ethenylphenyl)ethenyl acetate
CID 66777541
methyl 2-methyl-3-(4-methylphenyl)prop-2-enoate
CID 71350081
[(E)-2-(4-chlorophenyl)ethenyl] acetate
CID 102224059
2-(4-acetyloxyphenyl)ethenyl 3-(2-ethyl-2-adamantyl)-2-methylprop-2-enoate
CID 91179211
2-methylpent-2-eneperoxoic acid;styrene
CID 174709413
naphthalen-1-yl 2-methylpent-2-enoate
CID 174366930

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)ethenyl 2-methylpent-2-enoate?
The IUPAC name of 2-(4-methylphenyl)ethenyl 2-methylpent-2-enoate (CID 70448768) is 2-(4-methylphenyl)ethenyl 2-methylpent-2-enoate.
What is the SMILES notation for 2-(4-methylphenyl)ethenyl 2-methylpent-2-enoate?
The canonical SMILES for 2-(4-methylphenyl)ethenyl 2-methylpent-2-enoate is CCC=C(C)C(=O)OC=Cc1ccc(C)cc1.
What is the InChIKey of 2-(4-methylphenyl)ethenyl 2-methylpent-2-enoate?
The InChIKey is ZWEFYKNANJHXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c1-4-5-13(3)15(16)17-11-10-14-8-6-12(2)7-9-14/h5-11H,4H2,1-3H3.
What are the key properties of 2-(4-methylphenyl)ethenyl 2-methylpent-2-enoate?
2-(4-methylphenyl)ethenyl 2-methylpent-2-enoate has a molecular weight of 230.31 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)ethenyl 2-methylpent-2-enoate is sourced from PubChem (CID 70448768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).