ethyl 2-methyl-2-(4-methylphenyl)pent-4-enoate

C15H20O2 — CID 15139256

IUPACethyl 2-methyl-2-(4-methylphenyl)pent-4-enoate
SMILESC=CCC(C)(C(=O)OCC)c1ccc(C)cc1
InChIInChI=1S/C15H20O2/c1-5-11-15(4,14(16)17-6-2)13-9-7-12(3)8-10-13/h5,7-10H,1,6,11H2,2-4H3
InChIKeyCCYHJVXGMDFPAS-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.39
Rot. Bonds5

About ethyl 2-methyl-2-(4-methylphenyl)pent-4-enoate

ethyl 2-methyl-2-(4-methylphenyl)pent-4-enoate (PubChem CID 15139256) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is ethyl 2-methyl-2-(4-methylphenyl)pent-4-enoate.

Molecular Properties

Compound Nameethyl 2-methyl-2-(4-methylphenyl)pent-4-enoate
PubChem CID15139256
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Nameethyl 2-methyl-2-(4-methylphenyl)pent-4-enoate
SMILESC=CCC(C)(C(=O)OCC)c1ccc(C)cc1
InChIInChI=1S/C15H20O2/c1-5-11-15(4,14(16)17-6-2)13-9-7-12(3)8-10-13/h5,7-10H,1,6,11H2,2-4H3
InChIKeyCCYHJVXGMDFPAS-UHFFFAOYSA-N
XLogP3.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(3,4-difluorophenyl)-2-methylpent-4-enoate
CID 117049214
ethyl 2-[2-amino-4-(trifluoromethyl)phenyl]-2-methylpent-4-enoate
CID 117049245
diethyl 2-(4-fluorophenyl)-2-prop-2-enylpropanedioate
CID 103973170
1-ethoxy-2-(4-methylphenyl)-1-oxopropane-2-sulfonic acid
CID 141252571
2-ethoxycarbonyl-2-(4-methylphenyl)hex-5-enoic acid
CID 103974719
ethyl (2S)-2-fluoro-2-[(R)-hydroxy-(4-methylphenyl)methyl]pent-4-enoate
CID 12014070
ethyl 2,3-dimethyl-2-(4-methylphenyl)butanoate
CID 117047921
fluoro 2-methyl-2-phenylpent-4-enoate
CID 143008077
ethyl 2,2-dichloro-2-(4-methylphenyl)acetate
CID 54230467
methyl (2R)-2-(3,4-dichlorophenyl)-2-methylpent-4-enoate
CID 135044392
ethyl 2-amino-2-methylpent-4-enoate
CID 10103394
2-(4-hydroxyphenyl)-2-methylpent-4-enoic acid
CID 117049200

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-2-(4-methylphenyl)pent-4-enoate?
The IUPAC name of ethyl 2-methyl-2-(4-methylphenyl)pent-4-enoate (CID 15139256) is ethyl 2-methyl-2-(4-methylphenyl)pent-4-enoate.
What is the SMILES notation for ethyl 2-methyl-2-(4-methylphenyl)pent-4-enoate?
The canonical SMILES for ethyl 2-methyl-2-(4-methylphenyl)pent-4-enoate is C=CCC(C)(C(=O)OCC)c1ccc(C)cc1.
What is the InChIKey of ethyl 2-methyl-2-(4-methylphenyl)pent-4-enoate?
The InChIKey is CCYHJVXGMDFPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-5-11-15(4,14(16)17-6-2)13-9-7-12(3)8-10-13/h5,7-10H,1,6,11H2,2-4H3.
What are the key properties of ethyl 2-methyl-2-(4-methylphenyl)pent-4-enoate?
ethyl 2-methyl-2-(4-methylphenyl)pent-4-enoate has a molecular weight of 232.32 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-2-(4-methylphenyl)pent-4-enoate is sourced from PubChem (CID 15139256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).