methyl (E)-2-methyl-5-phenylpent-4-enoate

C13H16O2 — CID 13308267

IUPACmethyl (E)-2-methyl-5-phenylpent-4-enoate
SMILESCOC(=O)C(C)C/C=C/c1ccccc1
InChIInChI=1S/C13H16O2/c1-11(13(14)15-2)7-6-10-12-8-4-3-5-9-12/h3-6,8-11H,7H2,1-2H3/b10-6+
InChIKeyOPSPHRNIRSKZTM-UXBLZVDNSA-N
MW204.27 g/mol
LogP2.90
Rot. Bonds4

About methyl (E)-2-methyl-5-phenylpent-4-enoate

methyl (E)-2-methyl-5-phenylpent-4-enoate (PubChem CID 13308267) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is methyl (E)-2-methyl-5-phenylpent-4-enoate.

Molecular Properties

Compound Namemethyl (E)-2-methyl-5-phenylpent-4-enoate
PubChem CID13308267
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Namemethyl (E)-2-methyl-5-phenylpent-4-enoate
SMILESCOC(=O)C(C)C/C=C/c1ccccc1
InChIInChI=1S/C13H16O2/c1-11(13(14)15-2)7-6-10-12-8-4-3-5-9-12/h3-6,8-11H,7H2,1-2H3/b10-6+
InChIKeyOPSPHRNIRSKZTM-UXBLZVDNSA-N
XLogP2.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl (E)-2-methyl-5-phenylpent-4-enoate?
The IUPAC name of methyl (E)-2-methyl-5-phenylpent-4-enoate (CID 13308267) is methyl (E)-2-methyl-5-phenylpent-4-enoate.
What is the SMILES notation for methyl (E)-2-methyl-5-phenylpent-4-enoate?
The canonical SMILES for methyl (E)-2-methyl-5-phenylpent-4-enoate is COC(=O)C(C)C/C=C/c1ccccc1.
What is the InChIKey of methyl (E)-2-methyl-5-phenylpent-4-enoate?
The InChIKey is OPSPHRNIRSKZTM-UXBLZVDNSA-N. The full InChI is InChI=1S/C13H16O2/c1-11(13(14)15-2)7-6-10-12-8-4-3-5-9-12/h3-6,8-11H,7H2,1-2H3/b10-6+.
What are the key properties of methyl (E)-2-methyl-5-phenylpent-4-enoate?
methyl (E)-2-methyl-5-phenylpent-4-enoate has a molecular weight of 204.27 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-2-methyl-5-phenylpent-4-enoate is sourced from PubChem (CID 13308267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).