4,10-dipropyltridecan-5-one

C19H38O — CID 134266394

IUPAC4,10-dipropyltridecan-5-one
SMILESCCCC(CCC)CCCCC(=O)C(CCC)CCC
InChIInChI=1S/C19H38O/c1-5-11-17(12-6-2)15-9-10-16-19(20)18(13-7-3)14-8-4/h17-18H,5-16H2,1-4H3
InChIKeyOINQOAYSFSEFOF-UHFFFAOYSA-N
MW282.51 g/mol
LogP6.55
Rot. Bonds14

About 4,10-dipropyltridecan-5-one

4,10-dipropyltridecan-5-one (PubChem CID 134266394) has the molecular formula C19H38O and a molecular weight of 282.51 g/mol. Its IUPAC name is 4,10-dipropyltridecan-5-one.

Molecular Properties

Compound Name4,10-dipropyltridecan-5-one
PubChem CID134266394
Molecular FormulaC19H38O
Molecular Weight282.51 g/mol
Exact Mass282.29
IUPAC Name4,10-dipropyltridecan-5-one
SMILESCCCC(CCC)CCCCC(=O)C(CCC)CCC
InChIInChI=1S/C19H38O/c1-5-11-17(12-6-2)15-9-10-16-19(20)18(13-7-3)14-8-4/h17-18H,5-16H2,1-4H3
InChIKeyOINQOAYSFSEFOF-UHFFFAOYSA-N
XLogP6.55
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.51
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-propylnonan-5-one
CID 19931333
sodium 6-propylnonanoate
CID 139616672
12-hexyl-2-(2-octyldodecyl)-13-oxotriacontanoic acid
CID 87788902
1-hydroxy-4-propylheptan-3-one
CID 159944389
methyl 18-propylhenicosanoate
CID 546011
(6R)-16-decyl-1-(dimethylamino)-6-ethylhexacosan-7-one
CID 88890446
6-ethylnonanoic acid
CID 19689071
4-propylnon-1-en-5-one
CID 11105997
23-dodecylpentatriacontan-12-one
CID 140659228
magnesium bis(5-propyloctanoate)
CID 88756232
23-pentylpentatetracontanedioic acid
CID 141048477
10-hexyloctadecanoic acid
CID 91174619

Frequently Asked Questions

What is the IUPAC name of 4,10-dipropyltridecan-5-one?
The IUPAC name of 4,10-dipropyltridecan-5-one (CID 134266394) is 4,10-dipropyltridecan-5-one.
What is the SMILES notation for 4,10-dipropyltridecan-5-one?
The canonical SMILES for 4,10-dipropyltridecan-5-one is CCCC(CCC)CCCCC(=O)C(CCC)CCC.
What is the InChIKey of 4,10-dipropyltridecan-5-one?
The InChIKey is OINQOAYSFSEFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O/c1-5-11-17(12-6-2)15-9-10-16-19(20)18(13-7-3)14-8-4/h17-18H,5-16H2,1-4H3.
What are the key properties of 4,10-dipropyltridecan-5-one?
4,10-dipropyltridecan-5-one has a molecular weight of 282.51 g/mol, XLogP of 6.55, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,10-dipropyltridecan-5-one is sourced from PubChem (CID 134266394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).