ethyl (E)-2-methyl-5-phenylmethoxypent-2-enoate

C15H20O3 — CID 11265152

IUPACethyl (E)-2-methyl-5-phenylmethoxypent-2-enoate
SMILESCCOC(=O)/C(C)=C/CCOCc1ccccc1
InChIInChI=1S/C15H20O3/c1-3-18-15(16)13(2)8-7-11-17-12-14-9-5-4-6-10-14/h4-6,8-10H,3,7,11-12H2,1-2H3/b13-8+
InChIKeyNSWDPDGDFNWNPF-MDWZMJQESA-N
MW248.32 g/mol
LogP3.10
Rot. Bonds7

About ethyl (E)-2-methyl-5-phenylmethoxypent-2-enoate

ethyl (E)-2-methyl-5-phenylmethoxypent-2-enoate (PubChem CID 11265152) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is ethyl (E)-2-methyl-5-phenylmethoxypent-2-enoate.

Molecular Properties

Compound Nameethyl (E)-2-methyl-5-phenylmethoxypent-2-enoate
PubChem CID11265152
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Nameethyl (E)-2-methyl-5-phenylmethoxypent-2-enoate
SMILESCCOC(=O)/C(C)=C/CCOCc1ccccc1
InChIInChI=1S/C15H20O3/c1-3-18-15(16)13(2)8-7-11-17-12-14-9-5-4-6-10-14/h4-6,8-10H,3,7,11-12H2,1-2H3/b13-8+
InChIKeyNSWDPDGDFNWNPF-MDWZMJQESA-N
XLogP3.10
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (E)-2-methyl-5-phenylmethoxypent-2-enoate?
The IUPAC name of ethyl (E)-2-methyl-5-phenylmethoxypent-2-enoate (CID 11265152) is ethyl (E)-2-methyl-5-phenylmethoxypent-2-enoate.
What is the SMILES notation for ethyl (E)-2-methyl-5-phenylmethoxypent-2-enoate?
The canonical SMILES for ethyl (E)-2-methyl-5-phenylmethoxypent-2-enoate is CCOC(=O)/C(C)=C/CCOCc1ccccc1.
What is the InChIKey of ethyl (E)-2-methyl-5-phenylmethoxypent-2-enoate?
The InChIKey is NSWDPDGDFNWNPF-MDWZMJQESA-N. The full InChI is InChI=1S/C15H20O3/c1-3-18-15(16)13(2)8-7-11-17-12-14-9-5-4-6-10-14/h4-6,8-10H,3,7,11-12H2,1-2H3/b13-8+.
What are the key properties of ethyl (E)-2-methyl-5-phenylmethoxypent-2-enoate?
ethyl (E)-2-methyl-5-phenylmethoxypent-2-enoate has a molecular weight of 248.32 g/mol, XLogP of 3.10, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-2-methyl-5-phenylmethoxypent-2-enoate is sourced from PubChem (CID 11265152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).