decan-4-one;heptan-3-one

C17H34O2 — CID 158463149

IUPACdecan-4-one;heptan-3-one
SMILESCCCCC(=O)CC.CCCCCCC(=O)CCC
InChIInChI=1S/C10H20O.C7H14O/c1-3-5-6-7-9-10(11)8-4-2;1-3-5-6-7(8)4-2/h3-9H2,1-2H3;3-6H2,1-2H3
InChIKeyHFKVFFATLKSVER-UHFFFAOYSA-N
MW270.46 g/mol
LogP5.48
Rot. Bonds11

About decan-4-one;heptan-3-one

decan-4-one;heptan-3-one (PubChem CID 158463149) has the molecular formula C17H34O2 and a molecular weight of 270.46 g/mol. Its IUPAC name is decan-4-one;heptan-3-one.

Molecular Properties

Compound Namedecan-4-one;heptan-3-one
PubChem CID158463149
Molecular FormulaC17H34O2
Molecular Weight270.46 g/mol
Exact Mass270.26
IUPAC Namedecan-4-one;heptan-3-one
SMILESCCCCC(=O)CC.CCCCCCC(=O)CCC
InChIInChI=1S/C10H20O.C7H14O/c1-3-5-6-7-9-10(11)8-4-2;1-3-5-6-7(8)4-2/h3-9H2,1-2H3;3-6H2,1-2H3
InChIKeyHFKVFFATLKSVER-UHFFFAOYSA-N
XLogP5.48
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.46
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tetracosane-3,13-dione
CID 143607999
hexadecane-3,6-dione
CID 154449726
octadecan-4-one
CID 551672
icosane-4,15-dione
CID 123287171
decan-3-one;hydrochloride
CID 22446547
dodecan-5-one
CID 29771
tridecane-4,9-dione
CID 166698782
pentadecan-8-one
CID 13162
tricosan-12-one
CID 10888
pentacosane-7,19-dione
CID 139254510
nonadecan-7-one
CID 12913434
octacosan-8-one
CID 86052342

Frequently Asked Questions

What is the IUPAC name of decan-4-one;heptan-3-one?
The IUPAC name of decan-4-one;heptan-3-one (CID 158463149) is decan-4-one;heptan-3-one.
What is the SMILES notation for decan-4-one;heptan-3-one?
The canonical SMILES for decan-4-one;heptan-3-one is CCCCC(=O)CC.CCCCCCC(=O)CCC.
What is the InChIKey of decan-4-one;heptan-3-one?
The InChIKey is HFKVFFATLKSVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O.C7H14O/c1-3-5-6-7-9-10(11)8-4-2;1-3-5-6-7(8)4-2/h3-9H2,1-2H3;3-6H2,1-2H3.
What are the key properties of decan-4-one;heptan-3-one?
decan-4-one;heptan-3-one has a molecular weight of 270.46 g/mol, XLogP of 5.48, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for decan-4-one;heptan-3-one is sourced from PubChem (CID 158463149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).