ethyl (Z)-2-methyl-3-phenylpent-2-enoate

C14H18O2 — CID 15743107

IUPACethyl (Z)-2-methyl-3-phenylpent-2-enoate
SMILESCCOC(=O)/C(C)=C(/CC)c1ccccc1
InChIInChI=1S/C14H18O2/c1-4-13(11(3)14(15)16-5-2)12-9-7-6-8-10-12/h6-10H,4-5H2,1-3H3/b13-11-
InChIKeyUYZWTFOIHCDSBW-QBFSEMIESA-N
MW218.30 g/mol
LogP3.43
Rot. Bonds4

About ethyl (Z)-2-methyl-3-phenylpent-2-enoate

ethyl (Z)-2-methyl-3-phenylpent-2-enoate (PubChem CID 15743107) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is ethyl (Z)-2-methyl-3-phenylpent-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-2-methyl-3-phenylpent-2-enoate
PubChem CID15743107
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Nameethyl (Z)-2-methyl-3-phenylpent-2-enoate
SMILESCCOC(=O)/C(C)=C(/CC)c1ccccc1
InChIInChI=1S/C14H18O2/c1-4-13(11(3)14(15)16-5-2)12-9-7-6-8-10-12/h6-10H,4-5H2,1-3H3/b13-11-
InChIKeyUYZWTFOIHCDSBW-QBFSEMIESA-N
XLogP3.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.43
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 (E)-2-methyl-3-phenylpent-2-enoate
CID 11310524
ethyl (Z)-2-methyl-5-oxo-3-phenylhex-2-enoate
CID 101492463
ethyl (E)-4-methoxy-2-methyl-3-phenylbut-2-enoate
CID 103465005
chloro 2-methyl-3-phenylpent-2-enoate
CID 174505232
ethyl 3-hydroxy-2-methyl-3-phenylprop-2-enoate
CID 174429046
(E)-2-methyl-3-phenylpent-2-enamide
CID 66881626
ethyl (Z)-2-methyl-3-phenyl-3-sulfanylprop-2-enoate
CID 131879018
1,1-diethoxybut-1-en-2-ylbenzene
CID 66973345
ethyl 2-oxo-2-phenylacetate
CID 15349
ethyl (E)-3-cyano-2-methyl-3-phenylprop-2-enoate
CID 11195261
ethyl 3-hydroxy-2-phenylbut-2-enoate
CID 138115443
ethyl 2,3-diphenylbut-2-enoate
CID 175493323

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-2-methyl-3-phenylpent-2-enoate?
The IUPAC name of ethyl (Z)-2-methyl-3-phenylpent-2-enoate (CID 15743107) is ethyl (Z)-2-methyl-3-phenylpent-2-enoate.
What is the SMILES notation for ethyl (Z)-2-methyl-3-phenylpent-2-enoate?
The canonical SMILES for ethyl (Z)-2-methyl-3-phenylpent-2-enoate is CCOC(=O)/C(C)=C(/CC)c1ccccc1.
What is the InChIKey of ethyl (Z)-2-methyl-3-phenylpent-2-enoate?
The InChIKey is UYZWTFOIHCDSBW-QBFSEMIESA-N. The full InChI is InChI=1S/C14H18O2/c1-4-13(11(3)14(15)16-5-2)12-9-7-6-8-10-12/h6-10H,4-5H2,1-3H3/b13-11-.
What are the key properties of ethyl (Z)-2-methyl-3-phenylpent-2-enoate?
ethyl (Z)-2-methyl-3-phenylpent-2-enoate has a molecular weight of 218.30 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-2-methyl-3-phenylpent-2-enoate is sourced from PubChem (CID 15743107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).