pentyl (2E)-2-ethenylpenta-2,4-dienoate

C12H18O2 — CID 144992758

IUPACpentyl (2E)-2-ethenylpenta-2,4-dienoate
SMILESC=C/C=C(\C=C)C(=O)OCCCCC
InChIInChI=1S/C12H18O2/c1-4-7-8-10-14-12(13)11(6-3)9-5-2/h5-6,9H,2-4,7-8,10H2,1H3/b11-9+
InChIKeyAFBKDBRXMCHEEE-PKNBQFBNSA-N
MW194.27 g/mol
LogP3.02
Rot. Bonds7

About pentyl (2E)-2-ethenylpenta-2,4-dienoate

pentyl (2E)-2-ethenylpenta-2,4-dienoate (PubChem CID 144992758) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is pentyl (2E)-2-ethenylpenta-2,4-dienoate.

Molecular Properties

Compound Namepentyl (2E)-2-ethenylpenta-2,4-dienoate
PubChem CID144992758
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Namepentyl (2E)-2-ethenylpenta-2,4-dienoate
SMILESC=C/C=C(\C=C)C(=O)OCCCCC
InChIInChI=1S/C12H18O2/c1-4-7-8-10-14-12(13)11(6-3)9-5-2/h5-6,9H,2-4,7-8,10H2,1H3/b11-9+
InChIKeyAFBKDBRXMCHEEE-PKNBQFBNSA-N
XLogP3.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(2E)-2-ethenylpenta-2,4-dienoyl]oxypropyl (2E,4Z)-2-ethenylhexa-2,4-dienoate
CID 145346902
ditridecyl oxalate
CID 18377796
acetic acid;dibutyl (Z)-2-ethenylbut-2-enedioate
CID 174802121
docosyl prop-2-enoate;henicosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 161245650
pentatriacontyl prop-2-enoate
CID 141309454
hexyl prop-2-enoate
CID 17259
docosyl prop-2-enoate;henicosyl prop-2-enoate;icosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 159127322
decyl prop-2-enoate
CID 162172023
heptadecyl prop-2-enoate;hexadecyl prop-2-enoate;octadecyl prop-2-enoate;pentadecyl prop-2-enoate;tetradecyl prop-2-enoate
CID 159699669
heptadecyl prop-2-enoate;hexadecyl prop-2-enoate;octadecyl prop-2-enoate;pentadecyl prop-2-enoate;tetradecyl prop-2-enoate;tridecyl prop-2-enoate
CID 159575283
pentyl prop-2-enoate;propyl prop-2-enoate
CID 175293000
azane;octyl prop-2-enoate
CID 175482602

Frequently Asked Questions

What is the IUPAC name of pentyl (2E)-2-ethenylpenta-2,4-dienoate?
The IUPAC name of pentyl (2E)-2-ethenylpenta-2,4-dienoate (CID 144992758) is pentyl (2E)-2-ethenylpenta-2,4-dienoate.
What is the SMILES notation for pentyl (2E)-2-ethenylpenta-2,4-dienoate?
The canonical SMILES for pentyl (2E)-2-ethenylpenta-2,4-dienoate is C=C/C=C(\C=C)C(=O)OCCCCC.
What is the InChIKey of pentyl (2E)-2-ethenylpenta-2,4-dienoate?
The InChIKey is AFBKDBRXMCHEEE-PKNBQFBNSA-N. The full InChI is InChI=1S/C12H18O2/c1-4-7-8-10-14-12(13)11(6-3)9-5-2/h5-6,9H,2-4,7-8,10H2,1H3/b11-9+.
What are the key properties of pentyl (2E)-2-ethenylpenta-2,4-dienoate?
pentyl (2E)-2-ethenylpenta-2,4-dienoate has a molecular weight of 194.27 g/mol, XLogP of 3.02, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl (2E)-2-ethenylpenta-2,4-dienoate is sourced from PubChem (CID 144992758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).