[(5E,6Z)-5-ethylidenenona-6,8-dien-4-yl] butanoate

C15H24O2 — CID 176968021

IUPAC[(5E,6Z)-5-ethylidenenona-6,8-dien-4-yl] butanoate
SMILESC=C/C=C\C(=C/C)C(CCC)OC(=O)CCC
InChIInChI=1S/C15H24O2/c1-5-9-12-13(8-4)14(10-6-2)17-15(16)11-7-3/h5,8-9,12,14H,1,6-7,10-11H2,2-4H3/b12-9-,13-8+
InChIKeyIOIPITJOVQJUAX-SIMOKGRJSA-N
MW236.35 g/mol
LogP4.19
Rot. Bonds8

About [(5E,6Z)-5-ethylidenenona-6,8-dien-4-yl] butanoate

[(5E,6Z)-5-ethylidenenona-6,8-dien-4-yl] butanoate (PubChem CID 176968021) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is [(5E,6Z)-5-ethylidenenona-6,8-dien-4-yl] butanoate.

Molecular Properties

Compound Name[(5E,6Z)-5-ethylidenenona-6,8-dien-4-yl] butanoate
PubChem CID176968021
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name[(5E,6Z)-5-ethylidenenona-6,8-dien-4-yl] butanoate
SMILESC=C/C=C\C(=C/C)C(CCC)OC(=O)CCC
InChIInChI=1S/C15H24O2/c1-5-9-12-13(8-4)14(10-6-2)17-15(16)11-7-3/h5,8-9,12,14H,1,6-7,10-11H2,2-4H3/b12-9-,13-8+
InChIKeyIOIPITJOVQJUAX-SIMOKGRJSA-N
XLogP4.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;ethyl (3S,4E,5Z)-4-ethylidene-3-hydroxyocta-5,7-dienoate
CID 145420961
(3Z,5Z,6R)-5-ethylidene-6-methyldeca-1,3-diene
CID 144579667
butanoyloxy(methyl)phosphinic acid
CID 174651436
(3E,4Z)-3-ethylidene-2-hydroxyhepta-4,6-dienoic acid
CID 142066465
1-aminopropyl butanoate
CID 174612990
ethyl 2-butanoyloxyheptanoate
CID 134605685
1-formyloxyethyl butanoate
CID 54235883
3-formylheptan-4-yl butanoate
CID 173379831
[(2R)-1-oxopropan-2-yl] butanoate
CID 124506646
(3E,4Z)-2-(aminomethyl)-3-ethylidenehepta-4,6-dienoic acid
CID 143110029
(3Z,5E)-5-hexan-2-yloxyhepta-1,3,5-triene
CID 144808222
N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]butanamide
CID 167457562

Frequently Asked Questions

What is the IUPAC name of [(5E,6Z)-5-ethylidenenona-6,8-dien-4-yl] butanoate?
The IUPAC name of [(5E,6Z)-5-ethylidenenona-6,8-dien-4-yl] butanoate (CID 176968021) is [(5E,6Z)-5-ethylidenenona-6,8-dien-4-yl] butanoate.
What is the SMILES notation for [(5E,6Z)-5-ethylidenenona-6,8-dien-4-yl] butanoate?
The canonical SMILES for [(5E,6Z)-5-ethylidenenona-6,8-dien-4-yl] butanoate is C=C/C=C\C(=C/C)C(CCC)OC(=O)CCC.
What is the InChIKey of [(5E,6Z)-5-ethylidenenona-6,8-dien-4-yl] butanoate?
The InChIKey is IOIPITJOVQJUAX-SIMOKGRJSA-N. The full InChI is InChI=1S/C15H24O2/c1-5-9-12-13(8-4)14(10-6-2)17-15(16)11-7-3/h5,8-9,12,14H,1,6-7,10-11H2,2-4H3/b12-9-,13-8+.
What are the key properties of [(5E,6Z)-5-ethylidenenona-6,8-dien-4-yl] butanoate?
[(5E,6Z)-5-ethylidenenona-6,8-dien-4-yl] butanoate has a molecular weight of 236.35 g/mol, XLogP of 4.19, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(5E,6Z)-5-ethylidenenona-6,8-dien-4-yl] butanoate is sourced from PubChem (CID 176968021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).