5-ethyl-2-hydroxy-2-methylnonan-3-one

C12H24O2 — CID 103446069

IUPAC5-ethyl-2-hydroxy-2-methylnonan-3-one
SMILESCCCCC(CC)CC(=O)C(C)(C)O
InChIInChI=1S/C12H24O2/c1-5-7-8-10(6-2)9-11(13)12(3,4)14/h10,14H,5-9H2,1-4H3
InChIKeyYTBRLVWWONDMFQ-UHFFFAOYSA-N
MW200.32 g/mol
LogP2.93
Rot. Bonds7

About 5-ethyl-2-hydroxy-2-methylnonan-3-one

5-ethyl-2-hydroxy-2-methylnonan-3-one (PubChem CID 103446069) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 5-ethyl-2-hydroxy-2-methylnonan-3-one.

Molecular Properties

Compound Name5-ethyl-2-hydroxy-2-methylnonan-3-one
PubChem CID103446069
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name5-ethyl-2-hydroxy-2-methylnonan-3-one
SMILESCCCCC(CC)CC(=O)C(C)(C)O
InChIInChI=1S/C12H24O2/c1-5-7-8-10(6-2)9-11(13)12(3,4)14/h10,14H,5-9H2,1-4H3
InChIKeyYTBRLVWWONDMFQ-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

(5R)-5-ethyl-2,2-dimethyldecan-3-one
CID 101155077
5-ethyl-2-methyl-2-methylsulfonylnonan-3-one
CID 114963651
tert-butyl 3-ethylheptanoate
CID 545580
6-ethyl-2,2-dimethyldecan-4-one
CID 63890637
N-(2-ethylhexyl)-2-hydroxy-2-methylpropanamide
CID 104936564
zinc bis(3-ethylheptanoate)
CID 159696376
6-ethyl-3-methoxy-2,2-dimethyldecan-4-one
CID 116709605
3,6-diethyl-3-pyrrolidin-1-yldecan-4-one
CID 79068131
3-ethylheptaneperoxoic acid
CID 54542102
3-ethylhexadecanoic acid
CID 14298660
bis(3-ethyloctanoic acid);nickel
CID 176656697
3-ethyloctanoic acid;neodymium
CID 174650378

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-hydroxy-2-methylnonan-3-one?
The IUPAC name of 5-ethyl-2-hydroxy-2-methylnonan-3-one (CID 103446069) is 5-ethyl-2-hydroxy-2-methylnonan-3-one.
What is the SMILES notation for 5-ethyl-2-hydroxy-2-methylnonan-3-one?
The canonical SMILES for 5-ethyl-2-hydroxy-2-methylnonan-3-one is CCCCC(CC)CC(=O)C(C)(C)O.
What is the InChIKey of 5-ethyl-2-hydroxy-2-methylnonan-3-one?
The InChIKey is YTBRLVWWONDMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-5-7-8-10(6-2)9-11(13)12(3,4)14/h10,14H,5-9H2,1-4H3.
What are the key properties of 5-ethyl-2-hydroxy-2-methylnonan-3-one?
5-ethyl-2-hydroxy-2-methylnonan-3-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 5-ethyl-2-hydroxy-2-methylnonan-3-one is sourced from PubChem (CID 103446069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).