[(2Z,4E)-7-methylocta-2,4-dienoyl] (2Z,4E)-7-methylocta-2,4-dienoate

C18H26O3 — CID 11185384

IUPAC[(2Z,4E)-7-methylocta-2,4-dienoyl] (2Z,4E)-7-methylocta-2,4-dienoate
SMILESCC(C)C/C=C/C=C\C(=O)OC(=O)/C=C\C=C\CC(C)C
InChIInChI=1S/C18H26O3/c1-15(2)11-7-5-9-13-17(19)21-18(20)14-10-6-8-12-16(3)4/h5-10,13-16H,11-12H2,1-4H3/b7-5+,8-6+,13-9-,14-10-
InChIKeyVYHNXQFJXVXURU-FVJCAJFMSA-N
MW290.40 g/mol
LogP4.37
Rot. Bonds8

About [(2Z,4E)-7-methylocta-2,4-dienoyl] (2Z,4E)-7-methylocta-2,4-dienoate

[(2Z,4E)-7-methylocta-2,4-dienoyl] (2Z,4E)-7-methylocta-2,4-dienoate (PubChem CID 11185384) has the molecular formula C18H26O3 and a molecular weight of 290.40 g/mol. Its IUPAC name is [(2Z,4E)-7-methylocta-2,4-dienoyl] (2Z,4E)-7-methylocta-2,4-dienoate.

Molecular Properties

Compound Name[(2Z,4E)-7-methylocta-2,4-dienoyl] (2Z,4E)-7-methylocta-2,4-dienoate
PubChem CID11185384
Molecular FormulaC18H26O3
Molecular Weight290.40 g/mol
Exact Mass290.19
IUPAC Name[(2Z,4E)-7-methylocta-2,4-dienoyl] (2Z,4E)-7-methylocta-2,4-dienoate
SMILESCC(C)C/C=C/C=C\C(=O)OC(=O)/C=C\C=C\CC(C)C
InChIInChI=1S/C18H26O3/c1-15(2)11-7-5-9-13-17(19)21-18(20)14-10-6-8-12-16(3)4/h5-10,13-16H,11-12H2,1-4H3/b7-5+,8-6+,13-9-,14-10-
InChIKeyVYHNXQFJXVXURU-FVJCAJFMSA-N
XLogP4.37
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2Z,4E)-7-methylocta-2,4-dienoyl] (2Z,4E)-7-methylocta-2,4-dienoate?
The IUPAC name of [(2Z,4E)-7-methylocta-2,4-dienoyl] (2Z,4E)-7-methylocta-2,4-dienoate (CID 11185384) is [(2Z,4E)-7-methylocta-2,4-dienoyl] (2Z,4E)-7-methylocta-2,4-dienoate.
What is the SMILES notation for [(2Z,4E)-7-methylocta-2,4-dienoyl] (2Z,4E)-7-methylocta-2,4-dienoate?
The canonical SMILES for [(2Z,4E)-7-methylocta-2,4-dienoyl] (2Z,4E)-7-methylocta-2,4-dienoate is CC(C)C/C=C/C=C\C(=O)OC(=O)/C=C\C=C\CC(C)C.
What is the InChIKey of [(2Z,4E)-7-methylocta-2,4-dienoyl] (2Z,4E)-7-methylocta-2,4-dienoate?
The InChIKey is VYHNXQFJXVXURU-FVJCAJFMSA-N. The full InChI is InChI=1S/C18H26O3/c1-15(2)11-7-5-9-13-17(19)21-18(20)14-10-6-8-12-16(3)4/h5-10,13-16H,11-12H2,1-4H3/b7-5+,8-6+,13-9-,14-10-.
What are the key properties of [(2Z,4E)-7-methylocta-2,4-dienoyl] (2Z,4E)-7-methylocta-2,4-dienoate?
[(2Z,4E)-7-methylocta-2,4-dienoyl] (2Z,4E)-7-methylocta-2,4-dienoate has a molecular weight of 290.40 g/mol, XLogP of 4.37, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z,4E)-7-methylocta-2,4-dienoyl] (2Z,4E)-7-methylocta-2,4-dienoate is sourced from PubChem (CID 11185384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).