6-ethyl-6-propyldecan-4-one

C15H30O — CID 19931440

IUPAC6-ethyl-6-propyldecan-4-one
SMILESCCCCC(CC)(CCC)CC(=O)CCC
InChIInChI=1S/C15H30O/c1-5-9-12-15(8-4,11-7-3)13-14(16)10-6-2/h5-13H2,1-4H3
InChIKeyNJBASFWBMYPLME-UHFFFAOYSA-N
MW226.40 g/mol
LogP5.13
Rot. Bonds10

About 6-ethyl-6-propyldecan-4-one

6-ethyl-6-propyldecan-4-one (PubChem CID 19931440) has the molecular formula C15H30O and a molecular weight of 226.40 g/mol. Its IUPAC name is 6-ethyl-6-propyldecan-4-one.

Molecular Properties

Compound Name6-ethyl-6-propyldecan-4-one
PubChem CID19931440
Molecular FormulaC15H30O
Molecular Weight226.40 g/mol
Exact Mass226.23
IUPAC Name6-ethyl-6-propyldecan-4-one
SMILESCCCCC(CC)(CCC)CC(=O)CCC
InChIInChI=1S/C15H30O/c1-5-9-12-15(8-4,11-7-3)13-14(16)10-6-2/h5-13H2,1-4H3
InChIKeyNJBASFWBMYPLME-UHFFFAOYSA-N
XLogP5.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.40
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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2,2-dibutylpropane-1,3-diol;2,2-dipropylpropane-1,3-diol
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2-butyl-2-ethylpropane-1,3-diol
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1,1,1-trihydroxyhexan-3-one
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4,4-diethylheptanoic acid
CID 155796447
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CID 19106387
7-hydroxy-7-methylundecan-5-one
CID 121007959
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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-6-propyldecan-4-one?
The IUPAC name of 6-ethyl-6-propyldecan-4-one (CID 19931440) is 6-ethyl-6-propyldecan-4-one.
What is the SMILES notation for 6-ethyl-6-propyldecan-4-one?
The canonical SMILES for 6-ethyl-6-propyldecan-4-one is CCCCC(CC)(CCC)CC(=O)CCC.
What is the InChIKey of 6-ethyl-6-propyldecan-4-one?
The InChIKey is NJBASFWBMYPLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O/c1-5-9-12-15(8-4,11-7-3)13-14(16)10-6-2/h5-13H2,1-4H3.
What are the key properties of 6-ethyl-6-propyldecan-4-one?
6-ethyl-6-propyldecan-4-one has a molecular weight of 226.40 g/mol, XLogP of 5.13, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-6-propyldecan-4-one is sourced from PubChem (CID 19931440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).