4-propylnonan-5-one

C12H24O — CID 19931333

IUPAC4-propylnonan-5-one
SMILESCCCCC(=O)C(CCC)CCC
InChIInChI=1S/C12H24O/c1-4-7-10-12(13)11(8-5-2)9-6-3/h11H,4-10H2,1-3H3
InChIKeyZHGVZNPOYNUEOA-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.96
Rot. Bonds8

About 4-propylnonan-5-one

4-propylnonan-5-one (PubChem CID 19931333) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 4-propylnonan-5-one.

Molecular Properties

Compound Name4-propylnonan-5-one
PubChem CID19931333
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name4-propylnonan-5-one
SMILESCCCCC(=O)C(CCC)CCC
InChIInChI=1S/C12H24O/c1-4-7-10-12(13)11(8-5-2)9-6-3/h11H,4-10H2,1-3H3
InChIKeyZHGVZNPOYNUEOA-UHFFFAOYSA-N
XLogP3.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4,10-dipropyltridecan-5-one
CID 134266394
4-propylnon-1-en-5-one
CID 11105997
1-hydroxy-4-propylheptan-3-one
CID 159944389
(4S)-4-methylnonan-5-one;(4R)-4-methylnonan-5-one
CID 162100012
5-ethylpentadecan-6-one
CID 114966402
3-oxo-2-propylheptanal
CID 90932849
1,1-diiodohexan-2-one
CID 12616826
2-methylheptan-3-one;hydrate
CID 176897102
6-heptyltetradecane-2,5-dione
CID 129213457
1-cyclopropyl-4-propylheptan-3-one
CID 114978233
11-propylhenicosane-10,12-dione
CID 57313364
5-ethylundecan-4-one
CID 11687075

Frequently Asked Questions

What is the IUPAC name of 4-propylnonan-5-one?
The IUPAC name of 4-propylnonan-5-one (CID 19931333) is 4-propylnonan-5-one.
What is the SMILES notation for 4-propylnonan-5-one?
The canonical SMILES for 4-propylnonan-5-one is CCCCC(=O)C(CCC)CCC.
What is the InChIKey of 4-propylnonan-5-one?
The InChIKey is ZHGVZNPOYNUEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-4-7-10-12(13)11(8-5-2)9-6-3/h11H,4-10H2,1-3H3.
What are the key properties of 4-propylnonan-5-one?
4-propylnonan-5-one has a molecular weight of 184.32 g/mol, XLogP of 3.96, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propylnonan-5-one is sourced from PubChem (CID 19931333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).