ethyl (Z)-4-methyl-3-(3-methylphenyl)pent-2-enoate

C15H20O2 — CID 165351070

IUPACethyl (Z)-4-methyl-3-(3-methylphenyl)pent-2-enoate
SMILESCCOC(=O)/C=C(\c1cccc(C)c1)C(C)C
InChIInChI=1S/C15H20O2/c1-5-17-15(16)10-14(11(2)3)13-8-6-7-12(4)9-13/h6-11H,5H2,1-4H3/b14-10-
InChIKeySCMMMQYEAKRAKS-UVTDQMKNSA-N
MW232.32 g/mol
LogP3.60
Rot. Bonds4

About ethyl (Z)-4-methyl-3-(3-methylphenyl)pent-2-enoate

ethyl (Z)-4-methyl-3-(3-methylphenyl)pent-2-enoate (PubChem CID 165351070) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is ethyl (Z)-4-methyl-3-(3-methylphenyl)pent-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-4-methyl-3-(3-methylphenyl)pent-2-enoate
PubChem CID165351070
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Nameethyl (Z)-4-methyl-3-(3-methylphenyl)pent-2-enoate
SMILESCCOC(=O)/C=C(\c1cccc(C)c1)C(C)C
InChIInChI=1S/C15H20O2/c1-5-17-15(16)10-14(11(2)3)13-8-6-7-12(4)9-13/h6-11H,5H2,1-4H3/b14-10-
InChIKeySCMMMQYEAKRAKS-UVTDQMKNSA-N
XLogP3.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.60
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

ethyl (Z)-3-(3-methylphenyl)-3-phenylprop-2-enoate
CID 11414453
ethyl 3-hydroxy-3-(3-propan-2-yloxyphenyl)prop-2-enoate
CID 170923420
ethyl (2S)-2-(3-methylphenyl)propanoate
CID 14891800
ethyl 3-[2-(3-methylbenzoyl)phenyl]prop-2-enoate
CID 68696894
3-methylbenzamide;2-methylpropane
CID 160767336
methyl 4-methyl-3-phenylpent-2-enoate
CID 85106865
3-methyl-1-(3-methylphenyl)butane-1,2-dione
CID 83697695
2-(3-methylbenzoyl)oxyethyl 3-methylbenzoate
CID 23185550
5-ethoxy-5-oxo-3-phenylpent-3-enoic acid
CID 70049412
hydroxymethyl 3-methylbenzoate
CID 54320661
ethyl (E)-4-[[(1R)-1-(3-methylphenyl)ethyl]amino]but-2-enoate
CID 81360427
ethyl (E)-3-methoxy-3-phenylprop-2-enoate
CID 68584261

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-4-methyl-3-(3-methylphenyl)pent-2-enoate?
The IUPAC name of ethyl (Z)-4-methyl-3-(3-methylphenyl)pent-2-enoate (CID 165351070) is ethyl (Z)-4-methyl-3-(3-methylphenyl)pent-2-enoate.
What is the SMILES notation for ethyl (Z)-4-methyl-3-(3-methylphenyl)pent-2-enoate?
The canonical SMILES for ethyl (Z)-4-methyl-3-(3-methylphenyl)pent-2-enoate is CCOC(=O)/C=C(\c1cccc(C)c1)C(C)C.
What is the InChIKey of ethyl (Z)-4-methyl-3-(3-methylphenyl)pent-2-enoate?
The InChIKey is SCMMMQYEAKRAKS-UVTDQMKNSA-N. The full InChI is InChI=1S/C15H20O2/c1-5-17-15(16)10-14(11(2)3)13-8-6-7-12(4)9-13/h6-11H,5H2,1-4H3/b14-10-.
What are the key properties of ethyl (Z)-4-methyl-3-(3-methylphenyl)pent-2-enoate?
ethyl (Z)-4-methyl-3-(3-methylphenyl)pent-2-enoate has a molecular weight of 232.32 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-4-methyl-3-(3-methylphenyl)pent-2-enoate is sourced from PubChem (CID 165351070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).