5-(3-oxonona-1,4-dien-5-yloxy)nona-1,4-dien-3-one

C18H26O3 — CID 141174155

IUPAC5-(3-oxonona-1,4-dien-5-yloxy)nona-1,4-dien-3-one
SMILESC=CC(=O)C=C(CCCC)OC(=CC(=O)C=C)CCCC
InChIInChI=1S/C18H26O3/c1-5-9-11-17(13-15(19)7-3)21-18(12-10-6-2)14-16(20)8-4/h7-8,13-14H,3-6,9-12H2,1-2H3
InChIKeyXTTXLODLZVFZEO-UHFFFAOYSA-N
MW290.40 g/mol
LogP4.66
Rot. Bonds12

About 5-(3-oxonona-1,4-dien-5-yloxy)nona-1,4-dien-3-one

5-(3-oxonona-1,4-dien-5-yloxy)nona-1,4-dien-3-one (PubChem CID 141174155) has the molecular formula C18H26O3 and a molecular weight of 290.40 g/mol. Its IUPAC name is 5-(3-oxonona-1,4-dien-5-yloxy)nona-1,4-dien-3-one.

Molecular Properties

Compound Name5-(3-oxonona-1,4-dien-5-yloxy)nona-1,4-dien-3-one
PubChem CID141174155
Molecular FormulaC18H26O3
Molecular Weight290.40 g/mol
Exact Mass290.19
IUPAC Name5-(3-oxonona-1,4-dien-5-yloxy)nona-1,4-dien-3-one
SMILESC=CC(=O)C=C(CCCC)OC(=CC(=O)C=C)CCCC
InChIInChI=1S/C18H26O3/c1-5-9-11-17(13-15(19)7-3)21-18(12-10-6-2)14-16(20)8-4/h7-8,13-14H,3-6,9-12H2,1-2H3
InChIKeyXTTXLODLZVFZEO-UHFFFAOYSA-N
XLogP4.66
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(3-oxonona-1,4-dien-5-yloxy)nona-1,4-dien-3-one?
The IUPAC name of 5-(3-oxonona-1,4-dien-5-yloxy)nona-1,4-dien-3-one (CID 141174155) is 5-(3-oxonona-1,4-dien-5-yloxy)nona-1,4-dien-3-one.
What is the SMILES notation for 5-(3-oxonona-1,4-dien-5-yloxy)nona-1,4-dien-3-one?
The canonical SMILES for 5-(3-oxonona-1,4-dien-5-yloxy)nona-1,4-dien-3-one is C=CC(=O)C=C(CCCC)OC(=CC(=O)C=C)CCCC.
What is the InChIKey of 5-(3-oxonona-1,4-dien-5-yloxy)nona-1,4-dien-3-one?
The InChIKey is XTTXLODLZVFZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O3/c1-5-9-11-17(13-15(19)7-3)21-18(12-10-6-2)14-16(20)8-4/h7-8,13-14H,3-6,9-12H2,1-2H3.
What are the key properties of 5-(3-oxonona-1,4-dien-5-yloxy)nona-1,4-dien-3-one?
5-(3-oxonona-1,4-dien-5-yloxy)nona-1,4-dien-3-one has a molecular weight of 290.40 g/mol, XLogP of 4.66, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-oxonona-1,4-dien-5-yloxy)nona-1,4-dien-3-one is sourced from PubChem (CID 141174155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).