3-ethyl-3-hydroxy-6-methylnonan-4-one

C12H24O2 — CID 103447100

IUPAC3-ethyl-3-hydroxy-6-methylnonan-4-one
SMILESCCCC(C)CC(=O)C(O)(CC)CC
InChIInChI=1S/C12H24O2/c1-5-8-10(4)9-11(13)12(14,6-2)7-3/h10,14H,5-9H2,1-4H3
InChIKeyMZRHMGOOEYJBMP-UHFFFAOYSA-N
MW200.32 g/mol
LogP2.93
Rot. Bonds7

About 3-ethyl-3-hydroxy-6-methylnonan-4-one

3-ethyl-3-hydroxy-6-methylnonan-4-one (PubChem CID 103447100) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 3-ethyl-3-hydroxy-6-methylnonan-4-one.

Molecular Properties

Compound Name3-ethyl-3-hydroxy-6-methylnonan-4-one
PubChem CID103447100
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name3-ethyl-3-hydroxy-6-methylnonan-4-one
SMILESCCCC(C)CC(=O)C(O)(CC)CC
InChIInChI=1S/C12H24O2/c1-5-8-10(4)9-11(13)12(14,6-2)7-3/h10,14H,5-9H2,1-4H3
InChIKeyMZRHMGOOEYJBMP-UHFFFAOYSA-N
XLogP2.93
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-3,6-dimethylnonan-4-one
CID 116590350
3,6-diethyl-3-hydroxyoctan-4-one
CID 103447175
ethane;4-methylheptan-2-one
CID 142986053
3-methylhexanoate
CID 22322574
5-methyloctane-2,3-dione
CID 20560355
(3R)-N,N,3-trimethylhexanamide
CID 170848594
(3S,5R)-3,5-dimethyloctanoic acid
CID 175942531
1,1-difluoro-4-methylheptan-2-one
CID 112574315
2,5-dimethyl-2-morpholin-4-yloctan-3-one
CID 79045428
2-methyl-2-(3-methylhexanoylamino)butanoic acid
CID 119199351
2,2,5-trimethylundecan-3-one
CID 177435027
3-hydroxy-3,6-dimethyloctan-4-one
CID 103446752

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-hydroxy-6-methylnonan-4-one?
The IUPAC name of 3-ethyl-3-hydroxy-6-methylnonan-4-one (CID 103447100) is 3-ethyl-3-hydroxy-6-methylnonan-4-one.
What is the SMILES notation for 3-ethyl-3-hydroxy-6-methylnonan-4-one?
The canonical SMILES for 3-ethyl-3-hydroxy-6-methylnonan-4-one is CCCC(C)CC(=O)C(O)(CC)CC.
What is the InChIKey of 3-ethyl-3-hydroxy-6-methylnonan-4-one?
The InChIKey is MZRHMGOOEYJBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-5-8-10(4)9-11(13)12(14,6-2)7-3/h10,14H,5-9H2,1-4H3.
What are the key properties of 3-ethyl-3-hydroxy-6-methylnonan-4-one?
3-ethyl-3-hydroxy-6-methylnonan-4-one has a molecular weight of 200.32 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-hydroxy-6-methylnonan-4-one is sourced from PubChem (CID 103447100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).