1-(2-oxopropoxy)decan-4-one

C13H24O3 — CID 158938156

IUPAC1-(2-oxopropoxy)decan-4-one
SMILESCCCCCCC(=O)CCCOCC(C)=O
InChIInChI=1S/C13H24O3/c1-3-4-5-6-8-13(15)9-7-10-16-11-12(2)14/h3-11H2,1-2H3
InChIKeyYEBVBXLHCUSVFL-UHFFFAOYSA-N
MW228.33 g/mol
LogP2.91
Rot. Bonds11

About 1-(2-oxopropoxy)decan-4-one

1-(2-oxopropoxy)decan-4-one (PubChem CID 158938156) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is 1-(2-oxopropoxy)decan-4-one.

Molecular Properties

Compound Name1-(2-oxopropoxy)decan-4-one
PubChem CID158938156
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Name1-(2-oxopropoxy)decan-4-one
SMILESCCCCCCC(=O)CCCOCC(C)=O
InChIInChI=1S/C13H24O3/c1-3-4-5-6-8-13(15)9-7-10-16-11-12(2)14/h3-11H2,1-2H3
InChIKeyYEBVBXLHCUSVFL-UHFFFAOYSA-N
XLogP2.91
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-hexadecoxypropan-2-one
CID 15701879
1-propoxyhenicosan-4-one
CID 157232243
1-hexoxyundecan-2-one
CID 57063853
pentadecane-2,7-dione
CID 15360002
pentadecan-8-one
CID 13162
tricosan-12-one
CID 10888
pentacosane-7,19-dione
CID 139254510
nonadecan-7-one
CID 12913434
nonatriacontane-8,29-dione
CID 150237018
1-(3-hydroxypropoxy)pentadecan-5-one
CID 158545572
octacosan-8-one
CID 86052342
pentacosan-7-one
CID 54551687

Frequently Asked Questions

What is the IUPAC name of 1-(2-oxopropoxy)decan-4-one?
The IUPAC name of 1-(2-oxopropoxy)decan-4-one (CID 158938156) is 1-(2-oxopropoxy)decan-4-one.
What is the SMILES notation for 1-(2-oxopropoxy)decan-4-one?
The canonical SMILES for 1-(2-oxopropoxy)decan-4-one is CCCCCCC(=O)CCCOCC(C)=O.
What is the InChIKey of 1-(2-oxopropoxy)decan-4-one?
The InChIKey is YEBVBXLHCUSVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3/c1-3-4-5-6-8-13(15)9-7-10-16-11-12(2)14/h3-11H2,1-2H3.
What are the key properties of 1-(2-oxopropoxy)decan-4-one?
1-(2-oxopropoxy)decan-4-one has a molecular weight of 228.33 g/mol, XLogP of 2.91, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxopropoxy)decan-4-one is sourced from PubChem (CID 158938156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).