2-methoxyethyl (Z)-2-[(E)-hex-2-enoxy]pent-2-enoate

C14H24O4 — CID 11107965

IUPAC2-methoxyethyl (Z)-2-[(E)-hex-2-enoxy]pent-2-enoate
SMILESCC/C=C(\OC/C=C/CCC)C(=O)OCCOC
InChIInChI=1S/C14H24O4/c1-4-6-7-8-10-17-13(9-5-2)14(15)18-12-11-16-3/h7-9H,4-6,10-12H2,1-3H3/b8-7+,13-9-
InChIKeyMWERIFNAVQLMRD-UFVXJIOISA-N
MW256.34 g/mol
LogP2.84
Rot. Bonds10

About 2-methoxyethyl (Z)-2-[(E)-hex-2-enoxy]pent-2-enoate

2-methoxyethyl (Z)-2-[(E)-hex-2-enoxy]pent-2-enoate (PubChem CID 11107965) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is 2-methoxyethyl (Z)-2-[(E)-hex-2-enoxy]pent-2-enoate.

Molecular Properties

Compound Name2-methoxyethyl (Z)-2-[(E)-hex-2-enoxy]pent-2-enoate
PubChem CID11107965
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Name2-methoxyethyl (Z)-2-[(E)-hex-2-enoxy]pent-2-enoate
SMILESCC/C=C(\OC/C=C/CCC)C(=O)OCCOC
InChIInChI=1S/C14H24O4/c1-4-6-7-8-10-17-13(9-5-2)14(15)18-12-11-16-3/h7-9H,4-6,10-12H2,1-3H3/b8-7+,13-9-
InChIKeyMWERIFNAVQLMRD-UFVXJIOISA-N
XLogP2.84
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

bis[(Z)-hex-2-enyl] (E)-but-2-enedioate
CID 24805711
bis[(Z)-hex-2-enyl] butanedioate
CID 91701123
2-methoxyethyl 2-propan-2-ylpent-2-enoate
CID 54402624
hex-2-enyl hex-3-enoate
CID 71346528
(E)-1-methoxyhept-3-ene
CID 13049937
(E)-1-methoxyhex-2-ene
CID 5366215
bis[(E)-hex-2-enyl] pentanedioate
CID 91707138
hex-2-enyl 2-methylbutanoate
CID 527116
[(Z)-non-2-enyl] 5-methoxypentanoate
CID 153434938
[(E)-hex-2-enyl] hexacosanoate
CID 102118773
[(Z)-hex-2-enyl] 2-oxo-2-phenylacetate
CID 15312626
[(E)-non-5-enyl] (E)-2-methylbut-2-enoate
CID 102116658

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl (Z)-2-[(E)-hex-2-enoxy]pent-2-enoate?
The IUPAC name of 2-methoxyethyl (Z)-2-[(E)-hex-2-enoxy]pent-2-enoate (CID 11107965) is 2-methoxyethyl (Z)-2-[(E)-hex-2-enoxy]pent-2-enoate.
What is the SMILES notation for 2-methoxyethyl (Z)-2-[(E)-hex-2-enoxy]pent-2-enoate?
The canonical SMILES for 2-methoxyethyl (Z)-2-[(E)-hex-2-enoxy]pent-2-enoate is CC/C=C(\OC/C=C/CCC)C(=O)OCCOC.
What is the InChIKey of 2-methoxyethyl (Z)-2-[(E)-hex-2-enoxy]pent-2-enoate?
The InChIKey is MWERIFNAVQLMRD-UFVXJIOISA-N. The full InChI is InChI=1S/C14H24O4/c1-4-6-7-8-10-17-13(9-5-2)14(15)18-12-11-16-3/h7-9H,4-6,10-12H2,1-3H3/b8-7+,13-9-.
What are the key properties of 2-methoxyethyl (Z)-2-[(E)-hex-2-enoxy]pent-2-enoate?
2-methoxyethyl (Z)-2-[(E)-hex-2-enoxy]pent-2-enoate has a molecular weight of 256.34 g/mol, XLogP of 2.84, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl (Z)-2-[(E)-hex-2-enoxy]pent-2-enoate is sourced from PubChem (CID 11107965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).