methyl (E)-5-methoxypent-2-enoate

C7H12O3 — CID 11116178

IUPACmethyl (E)-5-methoxypent-2-enoate
SMILESCOCC/C=C/C(=O)OC
InChIInChI=1S/C7H12O3/c1-9-6-4-3-5-7(8)10-2/h3,5H,4,6H2,1-2H3/b5-3+
InChIKeyWOKYAZJYDFHWAY-HWKANZROSA-N
MW144.17 g/mol
LogP0.75
Rot. Bonds4

About methyl (E)-5-methoxypent-2-enoate

methyl (E)-5-methoxypent-2-enoate (PubChem CID 11116178) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is methyl (E)-5-methoxypent-2-enoate.

Molecular Properties

Compound Namemethyl (E)-5-methoxypent-2-enoate
PubChem CID11116178
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Namemethyl (E)-5-methoxypent-2-enoate
SMILESCOCC/C=C/C(=O)OC
InChIInChI=1S/C7H12O3/c1-9-6-4-3-5-7(8)10-2/h3,5H,4,6H2,1-2H3/b5-3+
InChIKeyWOKYAZJYDFHWAY-HWKANZROSA-N
XLogP0.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.75
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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Related Compounds

2-(5-methoxy-5-oxopent-3-enoxy)acetic acid
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methyl (E)-hept-2-enoate
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methyl hex-2-enoate;zinc
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methyl 6-oxohept-2-enoate
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dimethyl (2E,5E)-hepta-2,5-dienedioate
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methyl (Z)-5-(dimethylamino)pent-2-enoate
CID 117272420
methyl (Z)-6-chlorohex-2-enoate
CID 12741273
CID 142476100
CID 142476100
methyl (2E)-octadeca-2,17-dienoate
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methyl (2E,8E)-undeca-2,8-dienoate
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Frequently Asked Questions

What is the IUPAC name of methyl (E)-5-methoxypent-2-enoate?
The IUPAC name of methyl (E)-5-methoxypent-2-enoate (CID 11116178) is methyl (E)-5-methoxypent-2-enoate.
What is the SMILES notation for methyl (E)-5-methoxypent-2-enoate?
The canonical SMILES for methyl (E)-5-methoxypent-2-enoate is COCC/C=C/C(=O)OC.
What is the InChIKey of methyl (E)-5-methoxypent-2-enoate?
The InChIKey is WOKYAZJYDFHWAY-HWKANZROSA-N. The full InChI is InChI=1S/C7H12O3/c1-9-6-4-3-5-7(8)10-2/h3,5H,4,6H2,1-2H3/b5-3+.
What are the key properties of methyl (E)-5-methoxypent-2-enoate?
methyl (E)-5-methoxypent-2-enoate has a molecular weight of 144.17 g/mol, XLogP of 0.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-5-methoxypent-2-enoate is sourced from PubChem (CID 11116178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).