1-dec-1-enoxypropan-2-one

C13H24O2 — CID 118187850

IUPAC1-dec-1-enoxypropan-2-one
SMILESCCCCCCCCC=COCC(C)=O
InChIInChI=1S/C13H24O2/c1-3-4-5-6-7-8-9-10-11-15-12-13(2)14/h10-11H,3-9,12H2,1-2H3
InChIKeyKYVOMGAJNOUINU-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.86
Rot. Bonds10

About 1-dec-1-enoxypropan-2-one

1-dec-1-enoxypropan-2-one (PubChem CID 118187850) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 1-dec-1-enoxypropan-2-one.

Molecular Properties

Compound Name1-dec-1-enoxypropan-2-one
PubChem CID118187850
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name1-dec-1-enoxypropan-2-one
SMILESCCCCCCCCC=COCC(C)=O
InChIInChI=1S/C13H24O2/c1-3-4-5-6-7-8-9-10-11-15-12-13(2)14/h10-11H,3-9,12H2,1-2H3
InChIKeyKYVOMGAJNOUINU-UHFFFAOYSA-N
XLogP3.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-dec-1-enoxypropan-2-one?
The IUPAC name of 1-dec-1-enoxypropan-2-one (CID 118187850) is 1-dec-1-enoxypropan-2-one.
What is the SMILES notation for 1-dec-1-enoxypropan-2-one?
The canonical SMILES for 1-dec-1-enoxypropan-2-one is CCCCCCCCC=COCC(C)=O.
What is the InChIKey of 1-dec-1-enoxypropan-2-one?
The InChIKey is KYVOMGAJNOUINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-3-4-5-6-7-8-9-10-11-15-12-13(2)14/h10-11H,3-9,12H2,1-2H3.
What are the key properties of 1-dec-1-enoxypropan-2-one?
1-dec-1-enoxypropan-2-one has a molecular weight of 212.33 g/mol, XLogP of 3.86, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dec-1-enoxypropan-2-one is sourced from PubChem (CID 118187850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).