5-hydroxy-2,2,8,8-tetramethylnonane-3,7-dione

C13H24O3 — CID 90394412

IUPAC5-hydroxy-2,2,8,8-tetramethylnonane-3,7-dione
SMILESCC(C)(C)C(=O)CC(O)CC(=O)C(C)(C)C
InChIInChI=1S/C13H24O3/c1-12(2,3)10(15)7-9(14)8-11(16)13(4,5)6/h9,14H,7-8H2,1-6H3
InChIKeyIMISIUBXSDKDED-UHFFFAOYSA-N
MW228.33 g/mol
LogP2.36
Rot. Bonds4

About 5-hydroxy-2,2,8,8-tetramethylnonane-3,7-dione

5-hydroxy-2,2,8,8-tetramethylnonane-3,7-dione (PubChem CID 90394412) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is 5-hydroxy-2,2,8,8-tetramethylnonane-3,7-dione.

Molecular Properties

Compound Name5-hydroxy-2,2,8,8-tetramethylnonane-3,7-dione
PubChem CID90394412
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Name5-hydroxy-2,2,8,8-tetramethylnonane-3,7-dione
SMILESCC(C)(C)C(=O)CC(O)CC(=O)C(C)(C)C
InChIInChI=1S/C13H24O3/c1-12(2,3)10(15)7-9(14)8-11(16)13(4,5)6/h9,14H,7-8H2,1-6H3
InChIKeyIMISIUBXSDKDED-UHFFFAOYSA-N
XLogP2.36
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-2-hydroxy-5,5-dimethyl-4-oxohexanoate
CID 155654768
5-iodo-2,2-dimethylhexan-3-one
CID 22934221
dichlorotitanium;bis(5-hydroxy-2,2,6,6-tetramethylheptan-3-one)
CID 11156044
(1S)-1-cyclopropyl-1-hydroxy-4,4-dimethylpentan-3-one
CID 167352172
3,6,6-trimethylheptane-2,5-dione
CID 58992313
6,6,6-trifluoro-2,2-dimethyl-5-(trifluoromethyl)hexan-3-one
CID 166927504
(5R)-6,6,7,7,8,8,8-heptafluoro-5-hydroxy-2,2-dimethyloctan-3-one
CID 177455114
1,1-diethoxy-4,4-dimethylpentan-3-one
CID 13112448
6-hydroxy-2,2-dimethyloctan-3-one
CID 79428610
5-aminooxy-2,2-dimethylhexan-3-one
CID 22479459
5-iodo-2,2-dimethyloctan-3-one
CID 22934188
6-hydroxy-2,2,5,5-tetramethylheptan-3-one
CID 129106524

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2,2,8,8-tetramethylnonane-3,7-dione?
The IUPAC name of 5-hydroxy-2,2,8,8-tetramethylnonane-3,7-dione (CID 90394412) is 5-hydroxy-2,2,8,8-tetramethylnonane-3,7-dione.
What is the SMILES notation for 5-hydroxy-2,2,8,8-tetramethylnonane-3,7-dione?
The canonical SMILES for 5-hydroxy-2,2,8,8-tetramethylnonane-3,7-dione is CC(C)(C)C(=O)CC(O)CC(=O)C(C)(C)C.
What is the InChIKey of 5-hydroxy-2,2,8,8-tetramethylnonane-3,7-dione?
The InChIKey is IMISIUBXSDKDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3/c1-12(2,3)10(15)7-9(14)8-11(16)13(4,5)6/h9,14H,7-8H2,1-6H3.
What are the key properties of 5-hydroxy-2,2,8,8-tetramethylnonane-3,7-dione?
5-hydroxy-2,2,8,8-tetramethylnonane-3,7-dione has a molecular weight of 228.33 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2,2,8,8-tetramethylnonane-3,7-dione is sourced from PubChem (CID 90394412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).