1-hydroxy-5,7,8-trimethylnonan-4-one

C12H24O2 — CID 129266454

IUPAC1-hydroxy-5,7,8-trimethylnonan-4-one
SMILESCC(CC(C)C(C)C)C(=O)CCCO
InChIInChI=1S/C12H24O2/c1-9(2)10(3)8-11(4)12(14)6-5-7-13/h9-11,13H,5-8H2,1-4H3
InChIKeyZYQVAICXESGMME-UHFFFAOYSA-N
MW200.32 g/mol
LogP2.65
Rot. Bonds7

About 1-hydroxy-5,7,8-trimethylnonan-4-one

1-hydroxy-5,7,8-trimethylnonan-4-one (PubChem CID 129266454) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 1-hydroxy-5,7,8-trimethylnonan-4-one.

Molecular Properties

Compound Name1-hydroxy-5,7,8-trimethylnonan-4-one
PubChem CID129266454
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name1-hydroxy-5,7,8-trimethylnonan-4-one
SMILESCC(CC(C)C(C)C)C(=O)CCCO
InChIInChI=1S/C12H24O2/c1-9(2)10(3)8-11(4)12(14)6-5-7-13/h9-11,13H,5-8H2,1-4H3
InChIKeyZYQVAICXESGMME-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,5R)-2,3,5,6-tetramethylheptane
CID 102426642
5-hydroxypentan-2-one
CID 162230963
(4S)-4-methylnonan-5-one;(4R)-4-methylnonan-5-one
CID 162100012
1-hydroxy-4-methylheptan-3-one
CID 87401678
1-hydroxy-8-methylnonan-4-one
CID 87402189
4-hydroxy-N-(5-methyl-2-oxohexan-3-yl)butanamide
CID 170404242
7,8-dimethylnonan-1-ol
CID 87272618
10,11-dimethyldodecan-1-ol
CID 174615495
3-ethyl-7-hydroxy-2,4-dioxoheptanoic acid
CID 140550098
2,19-dimethylhenicosane-3,18-dione
CID 138498522
bis(2-methylpropanoic acid);propane-1,3-diol
CID 174945729
1,5-dihydroxyhexacosan-4-one
CID 141328006

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-5,7,8-trimethylnonan-4-one?
The IUPAC name of 1-hydroxy-5,7,8-trimethylnonan-4-one (CID 129266454) is 1-hydroxy-5,7,8-trimethylnonan-4-one.
What is the SMILES notation for 1-hydroxy-5,7,8-trimethylnonan-4-one?
The canonical SMILES for 1-hydroxy-5,7,8-trimethylnonan-4-one is CC(CC(C)C(C)C)C(=O)CCCO.
What is the InChIKey of 1-hydroxy-5,7,8-trimethylnonan-4-one?
The InChIKey is ZYQVAICXESGMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-9(2)10(3)8-11(4)12(14)6-5-7-13/h9-11,13H,5-8H2,1-4H3.
What are the key properties of 1-hydroxy-5,7,8-trimethylnonan-4-one?
1-hydroxy-5,7,8-trimethylnonan-4-one has a molecular weight of 200.32 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-5,7,8-trimethylnonan-4-one is sourced from PubChem (CID 129266454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).