3-dec-1-enoxypentane-2,4-dione

C15H26O3 — CID 118406213

IUPAC3-dec-1-enoxypentane-2,4-dione
SMILESCCCCCCCCC=COC(C(C)=O)C(C)=O
InChIInChI=1S/C15H26O3/c1-4-5-6-7-8-9-10-11-12-18-15(13(2)16)14(3)17/h11-12,15H,4-10H2,1-3H3
InChIKeyVREJRVSYSHWNAR-UHFFFAOYSA-N
MW254.37 g/mol
LogP3.81
Rot. Bonds11

About 3-dec-1-enoxypentane-2,4-dione

3-dec-1-enoxypentane-2,4-dione (PubChem CID 118406213) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is 3-dec-1-enoxypentane-2,4-dione.

Molecular Properties

Compound Name3-dec-1-enoxypentane-2,4-dione
PubChem CID118406213
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name3-dec-1-enoxypentane-2,4-dione
SMILESCCCCCCCCC=COC(C(C)=O)C(C)=O
InChIInChI=1S/C15H26O3/c1-4-5-6-7-8-9-10-11-12-18-15(13(2)16)14(3)17/h11-12,15H,4-10H2,1-3H3
InChIKeyVREJRVSYSHWNAR-UHFFFAOYSA-N
XLogP3.81
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

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6-Methoxydeca-1,9-dien-5-one
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[(E)-oct-1-enyl] 2-oxopropanoate
CID 87466317
1-(3,4-dihydro-2H-pyran-2-yl)propan-1-one
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5-Methoxyoct-7-en-4-one
CID 89018208
Oct-1-enyl 2-oxopropanoate
CID 91121588
1-Dec-1-enoxypropan-2-one
CID 118187850
1-Non-1-enoxypropan-2-one
CID 129223534
1-(2,3-Dihydrofuran-2-yl)butan-1-one
CID 140791264
(E)-10-ethoxydec-9-en-5-one
CID 12757743

Frequently Asked Questions

What is the IUPAC name of 3-dec-1-enoxypentane-2,4-dione?
The IUPAC name of 3-dec-1-enoxypentane-2,4-dione (CID 118406213) is 3-dec-1-enoxypentane-2,4-dione.
What is the SMILES notation for 3-dec-1-enoxypentane-2,4-dione?
The canonical SMILES for 3-dec-1-enoxypentane-2,4-dione is CCCCCCCCC=COC(C(C)=O)C(C)=O.
What is the InChIKey of 3-dec-1-enoxypentane-2,4-dione?
The InChIKey is VREJRVSYSHWNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O3/c1-4-5-6-7-8-9-10-11-12-18-15(13(2)16)14(3)17/h11-12,15H,4-10H2,1-3H3.
What are the key properties of 3-dec-1-enoxypentane-2,4-dione?
3-dec-1-enoxypentane-2,4-dione has a molecular weight of 254.37 g/mol, XLogP of 3.81, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dec-1-enoxypentane-2,4-dione is sourced from PubChem (CID 118406213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).