4-(3-oxooct-1-en-4-yloxy)oct-1-en-3-one

C16H26O3 — CID 140975475

IUPAC4-(3-oxooct-1-en-4-yloxy)oct-1-en-3-one
SMILESC=CC(=O)C(CCCC)OC(CCCC)C(=O)C=C
InChIInChI=1S/C16H26O3/c1-5-9-11-15(13(17)7-3)19-16(12-10-6-2)14(18)8-4/h7-8,15-16H,3-6,9-12H2,1-2H3
InChIKeyQNZCESUBCBTSSW-UHFFFAOYSA-N
MW266.38 g/mol
LogP3.63
Rot. Bonds12

About 4-(3-oxooct-1-en-4-yloxy)oct-1-en-3-one

4-(3-oxooct-1-en-4-yloxy)oct-1-en-3-one (PubChem CID 140975475) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is 4-(3-oxooct-1-en-4-yloxy)oct-1-en-3-one.

Molecular Properties

Compound Name4-(3-oxooct-1-en-4-yloxy)oct-1-en-3-one
PubChem CID140975475
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Name4-(3-oxooct-1-en-4-yloxy)oct-1-en-3-one
SMILESC=CC(=O)C(CCCC)OC(CCCC)C(=O)C=C
InChIInChI=1S/C16H26O3/c1-5-9-11-15(13(17)7-3)19-16(12-10-6-2)14(18)8-4/h7-8,15-16H,3-6,9-12H2,1-2H3
InChIKeyQNZCESUBCBTSSW-UHFFFAOYSA-N
XLogP3.63
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-oxooct-1-en-4-yloxy)oct-1-en-3-one?
The IUPAC name of 4-(3-oxooct-1-en-4-yloxy)oct-1-en-3-one (CID 140975475) is 4-(3-oxooct-1-en-4-yloxy)oct-1-en-3-one.
What is the SMILES notation for 4-(3-oxooct-1-en-4-yloxy)oct-1-en-3-one?
The canonical SMILES for 4-(3-oxooct-1-en-4-yloxy)oct-1-en-3-one is C=CC(=O)C(CCCC)OC(CCCC)C(=O)C=C.
What is the InChIKey of 4-(3-oxooct-1-en-4-yloxy)oct-1-en-3-one?
The InChIKey is QNZCESUBCBTSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O3/c1-5-9-11-15(13(17)7-3)19-16(12-10-6-2)14(18)8-4/h7-8,15-16H,3-6,9-12H2,1-2H3.
What are the key properties of 4-(3-oxooct-1-en-4-yloxy)oct-1-en-3-one?
4-(3-oxooct-1-en-4-yloxy)oct-1-en-3-one has a molecular weight of 266.38 g/mol, XLogP of 3.63, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-oxooct-1-en-4-yloxy)oct-1-en-3-one is sourced from PubChem (CID 140975475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).