4,5-dipropyloct-4-ene-3,6-dione

C14H24O2 — CID 142732258

IUPAC4,5-dipropyloct-4-ene-3,6-dione
SMILESCCCC(C(=O)CC)=C(CCC)C(=O)CC
InChIInChI=1S/C14H24O2/c1-5-9-11(13(15)7-3)12(10-6-2)14(16)8-4/h5-10H2,1-4H3
InChIKeyRHYZELDSHZEHCR-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.84
Rot. Bonds8

About 4,5-dipropyloct-4-ene-3,6-dione

4,5-dipropyloct-4-ene-3,6-dione (PubChem CID 142732258) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 4,5-dipropyloct-4-ene-3,6-dione.

Molecular Properties

Compound Name4,5-dipropyloct-4-ene-3,6-dione
PubChem CID142732258
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name4,5-dipropyloct-4-ene-3,6-dione
SMILESCCCC(C(=O)CC)=C(CCC)C(=O)CC
InChIInChI=1S/C14H24O2/c1-5-9-11(13(15)7-3)12(10-6-2)14(16)8-4/h5-10H2,1-4H3
InChIKeyRHYZELDSHZEHCR-UHFFFAOYSA-N
XLogP3.84
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,5-dibutyloct-4-ene-3,6-dione
CID 142732259
4-ethyl-5-methylhex-4-en-3-one
CID 130026658
dimagnesium;butanoate;propanoate
CID 19914218
4-methylideneheptan-3-one
CID 13485259
dimethyl 2,3-dipropylbut-2-enedioate
CID 86118404
strontium butanoate
CID 19035288
potassium butanoate
CID 23677461
butanoate;ytterbium(2+)
CID 88777454
silver butanoate
CID 14944495
tetrapotassium;butanoate
CID 140982885
butanoate;bis(rhodium(3+))
CID 173415846
tris(butan-2-one);tris(pentan-2-one)
CID 157203121

Frequently Asked Questions

What is the IUPAC name of 4,5-dipropyloct-4-ene-3,6-dione?
The IUPAC name of 4,5-dipropyloct-4-ene-3,6-dione (CID 142732258) is 4,5-dipropyloct-4-ene-3,6-dione.
What is the SMILES notation for 4,5-dipropyloct-4-ene-3,6-dione?
The canonical SMILES for 4,5-dipropyloct-4-ene-3,6-dione is CCCC(C(=O)CC)=C(CCC)C(=O)CC.
What is the InChIKey of 4,5-dipropyloct-4-ene-3,6-dione?
The InChIKey is RHYZELDSHZEHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-5-9-11(13(15)7-3)12(10-6-2)14(16)8-4/h5-10H2,1-4H3.
What are the key properties of 4,5-dipropyloct-4-ene-3,6-dione?
4,5-dipropyloct-4-ene-3,6-dione has a molecular weight of 224.34 g/mol, XLogP of 3.84, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dipropyloct-4-ene-3,6-dione is sourced from PubChem (CID 142732258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).