[(E)-non-5-enyl] (E)-2-methylbut-2-enoate

C14H24O2 — CID 102116658

IUPAC[(E)-non-5-enyl] (E)-2-methylbut-2-enoate
SMILESC/C=C(\C)C(=O)OCCCC/C=C/CCC
InChIInChI=1S/C14H24O2/c1-4-6-7-8-9-10-11-12-16-14(15)13(3)5-2/h5,7-8H,4,6,9-12H2,1-3H3/b8-7+,13-5+
InChIKeyZKJHARITRCHDHA-BGJIPISASA-N
MW224.34 g/mol
LogP4.02
Rot. Bonds8

About [(E)-non-5-enyl] (E)-2-methylbut-2-enoate

[(E)-non-5-enyl] (E)-2-methylbut-2-enoate (PubChem CID 102116658) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is [(E)-non-5-enyl] (E)-2-methylbut-2-enoate.

Molecular Properties

Compound Name[(E)-non-5-enyl] (E)-2-methylbut-2-enoate
PubChem CID102116658
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name[(E)-non-5-enyl] (E)-2-methylbut-2-enoate
SMILESC/C=C(\C)C(=O)OCCCC/C=C/CCC
InChIInChI=1S/C14H24O2/c1-4-6-7-8-9-10-11-12-16-14(15)13(3)5-2/h5,7-8H,4,6,9-12H2,1-3H3/b8-7+,13-5+
InChIKeyZKJHARITRCHDHA-BGJIPISASA-N
XLogP4.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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

[(E)-oct-5-enyl] (E)-2-methylbut-2-enoate
CID 102116652
undecyl (E)-2-methylbut-2-enoate
CID 91701896
undec-10-enyl (E)-2-methylbut-2-enoate
CID 91701288
[(Z)-hex-3-enyl] (E)-2-methylbut-2-enoate
CID 15461361
[(Z)-octadec-9-enyl] 2-methylprop-2-enoate
CID 6436390
[(Z)-dec-5-enyl] acetate
CID 5363513
heptyl 2-methylhexadec-2-enoate
CID 174820936
dodecyl 2-methylhenicos-2-enoate
CID 57172953
heptyl 2-methylundec-2-enoate
CID 174231744
icosyl 2-methyltricos-2-enoate
CID 90881383
nonyl 2-methylnon-2-enoate
CID 175301846
2-methylprop-2-enoic acid;octadecyl 2-methylbut-2-enoate
CID 173433253

Frequently Asked Questions

What is the IUPAC name of [(E)-non-5-enyl] (E)-2-methylbut-2-enoate?
The IUPAC name of [(E)-non-5-enyl] (E)-2-methylbut-2-enoate (CID 102116658) is [(E)-non-5-enyl] (E)-2-methylbut-2-enoate.
What is the SMILES notation for [(E)-non-5-enyl] (E)-2-methylbut-2-enoate?
The canonical SMILES for [(E)-non-5-enyl] (E)-2-methylbut-2-enoate is C/C=C(\C)C(=O)OCCCC/C=C/CCC.
What is the InChIKey of [(E)-non-5-enyl] (E)-2-methylbut-2-enoate?
The InChIKey is ZKJHARITRCHDHA-BGJIPISASA-N. The full InChI is InChI=1S/C14H24O2/c1-4-6-7-8-9-10-11-12-16-14(15)13(3)5-2/h5,7-8H,4,6,9-12H2,1-3H3/b8-7+,13-5+.
What are the key properties of [(E)-non-5-enyl] (E)-2-methylbut-2-enoate?
[(E)-non-5-enyl] (E)-2-methylbut-2-enoate has a molecular weight of 224.34 g/mol, XLogP of 4.02, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-non-5-enyl] (E)-2-methylbut-2-enoate is sourced from PubChem (CID 102116658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).