3,5-diethylnonan-4-one

C13H26O — CID 115785527

IUPAC3,5-diethylnonan-4-one
SMILESCCCCC(CC)C(=O)C(CC)CC
InChIInChI=1S/C13H26O/c1-5-9-10-12(8-4)13(14)11(6-2)7-3/h11-12H,5-10H2,1-4H3
InChIKeyKJDJDQMLCIDKCL-UHFFFAOYSA-N
MW198.35 g/mol
LogP4.21
Rot. Bonds8

About 3,5-diethylnonan-4-one

3,5-diethylnonan-4-one (PubChem CID 115785527) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is 3,5-diethylnonan-4-one.

Molecular Properties

Compound Name3,5-diethylnonan-4-one
PubChem CID115785527
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name3,5-diethylnonan-4-one
SMILESCCCCC(CC)C(=O)C(CC)CC
InChIInChI=1S/C13H26O/c1-5-9-10-12(8-4)13(14)11(6-2)7-3/h11-12H,5-10H2,1-4H3
InChIKeyKJDJDQMLCIDKCL-UHFFFAOYSA-N
XLogP4.21
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,1-diethoxy-3-ethylheptan-2-one
CID 165358267
2-ethylhexanoic acid;palladium(2+)
CID 18629949
cobalt;bis(2-ethylhexanoic acid)
CID 85390748
2-ethylhexanoic acid;niobium
CID 87060397
tetrakis(2-ethylhexanoic acid);hafnium
CID 140535448
copper 2-ethylhexanoic acid
CID 54604905
bis(2-ethylhexanoic acid);manganese
CID 173402583
bis(2-ethylhexanoic acid);manganese(3+)
CID 175736722
11,13-diheptyltricosan-12-one
CID 175328104
22,24-di(henicosyl)pentatetracontan-23-one
CID 174350862
9,11-dipentylnonadecan-10-one
CID 174915946
4-butyl-2-methyloctan-3-one
CID 171426152

Frequently Asked Questions

What is the IUPAC name of 3,5-diethylnonan-4-one?
The IUPAC name of 3,5-diethylnonan-4-one (CID 115785527) is 3,5-diethylnonan-4-one.
What is the SMILES notation for 3,5-diethylnonan-4-one?
The canonical SMILES for 3,5-diethylnonan-4-one is CCCCC(CC)C(=O)C(CC)CC.
What is the InChIKey of 3,5-diethylnonan-4-one?
The InChIKey is KJDJDQMLCIDKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O/c1-5-9-10-12(8-4)13(14)11(6-2)7-3/h11-12H,5-10H2,1-4H3.
What are the key properties of 3,5-diethylnonan-4-one?
3,5-diethylnonan-4-one has a molecular weight of 198.35 g/mol, XLogP of 4.21, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethylnonan-4-one is sourced from PubChem (CID 115785527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).