4-ethyl-2,2-dimethylhexan-3-one

C10H20O — CID 15584308

IUPAC4-ethyl-2,2-dimethylhexan-3-one
SMILESCCC(CC)C(=O)C(C)(C)C
InChIInChI=1S/C10H20O/c1-6-8(7-2)9(11)10(3,4)5/h8H,6-7H2,1-5H3
InChIKeyREEBAVRLLRFNEP-UHFFFAOYSA-N
MW156.27 g/mol
LogP3.04
Rot. Bonds3

About 4-ethyl-2,2-dimethylhexan-3-one

4-ethyl-2,2-dimethylhexan-3-one (PubChem CID 15584308) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 4-ethyl-2,2-dimethylhexan-3-one.

Molecular Properties

Compound Name4-ethyl-2,2-dimethylhexan-3-one
PubChem CID15584308
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name4-ethyl-2,2-dimethylhexan-3-one
SMILESCCC(CC)C(=O)C(C)(C)C
InChIInChI=1S/C10H20O/c1-6-8(7-2)9(11)10(3,4)5/h8H,6-7H2,1-5H3
InChIKeyREEBAVRLLRFNEP-UHFFFAOYSA-N
XLogP3.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4S)-4-hydroxy-2,2-dimethylhexan-3-one
CID 170275468
3-amino-5-ethyl-3-methylheptan-4-one
CID 116590488
4-ethyl-2-methyl-2-(methylamino)hexan-3-one
CID 116566544
2,2-dimethyl-4-octadecyldocosan-3-one
CID 169059642
4-ethyl-5-hydroxy-2,2,5-trimethylhexan-3-one
CID 131848438
4-[(4-hydroxyphenyl)methyl]-2,2-dimethylhexan-3-one
CID 67129612
ethane;2-ethylbutanoic acid
CID 142229949
CID 123134376
CID 123134376
CID 87086045
CID 87086045
(4R,5R)-5-hydroxy-2,2,4-trimethylheptan-3-one
CID 131857696
3,3,5-triethylheptane-2,4-dione
CID 141275596
5-tert-butyl-3,7-diethylnonane-4,6-dione
CID 19371353

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,2-dimethylhexan-3-one?
The IUPAC name of 4-ethyl-2,2-dimethylhexan-3-one (CID 15584308) is 4-ethyl-2,2-dimethylhexan-3-one.
What is the SMILES notation for 4-ethyl-2,2-dimethylhexan-3-one?
The canonical SMILES for 4-ethyl-2,2-dimethylhexan-3-one is CCC(CC)C(=O)C(C)(C)C.
What is the InChIKey of 4-ethyl-2,2-dimethylhexan-3-one?
The InChIKey is REEBAVRLLRFNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O/c1-6-8(7-2)9(11)10(3,4)5/h8H,6-7H2,1-5H3.
What are the key properties of 4-ethyl-2,2-dimethylhexan-3-one?
4-ethyl-2,2-dimethylhexan-3-one has a molecular weight of 156.27 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,2-dimethylhexan-3-one is sourced from PubChem (CID 15584308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).