(2S)-1,2-dihydroxydecane-3,4-dione

C10H18O4 — CID 25023206

IUPAC(2S)-1,2-dihydroxydecane-3,4-dione
SMILESCCCCCCC(=O)C(=O)[C@@H](O)CO
InChIInChI=1S/C10H18O4/c1-2-3-4-5-6-8(12)10(14)9(13)7-11/h9,11,13H,2-7H2,1H3/t9-/m0/s1
InChIKeyLYNVJZRAVTWTEJ-VIFPVBQESA-N
MW202.25 g/mol
LogP0.45
Rot. Bonds8

About (2S)-1,2-dihydroxydecane-3,4-dione

(2S)-1,2-dihydroxydecane-3,4-dione (PubChem CID 25023206) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is (2S)-1,2-dihydroxydecane-3,4-dione.

Molecular Properties

Compound Name(2S)-1,2-dihydroxydecane-3,4-dione
PubChem CID25023206
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name(2S)-1,2-dihydroxydecane-3,4-dione
SMILESCCCCCCC(=O)C(=O)[C@@H](O)CO
InChIInChI=1S/C10H18O4/c1-2-3-4-5-6-8(12)10(14)9(13)7-11/h9,11,13H,2-7H2,1H3/t9-/m0/s1
InChIKeyLYNVJZRAVTWTEJ-VIFPVBQESA-N
XLogP0.45
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1,2-dihydroxynonane-3,4-dione
CID 56664339
6-hydroxypentadecane-7,8-dione
CID 57116193
1,2-dihydroxytricosa-7,9-diene-3,4-dione
CID 123417150
3-hydroxynonane-4,5-dione
CID 89212568
1,2,3,4,5-pentahydroxyoctadecane-6,7-dione
CID 174280560
nonatriacontane-16,17-dione
CID 175447711
octadecane-9,10-dione
CID 10902085
3-ethyldecane-4,5-dione
CID 141348149
2,3-dihydroxypropanoyl icosanoate
CID 89407188
2,3-dihydroxypropanoyl octanoate
CID 21150881
magnesium;bis(octadecanoate);bis(propane-1,2,3-triol)
CID 174863186
1,2-dihydroxytetracos-12-en-3-one
CID 172996301

Frequently Asked Questions

What is the IUPAC name of (2S)-1,2-dihydroxydecane-3,4-dione?
The IUPAC name of (2S)-1,2-dihydroxydecane-3,4-dione (CID 25023206) is (2S)-1,2-dihydroxydecane-3,4-dione.
What is the SMILES notation for (2S)-1,2-dihydroxydecane-3,4-dione?
The canonical SMILES for (2S)-1,2-dihydroxydecane-3,4-dione is CCCCCCC(=O)C(=O)[C@@H](O)CO.
What is the InChIKey of (2S)-1,2-dihydroxydecane-3,4-dione?
The InChIKey is LYNVJZRAVTWTEJ-VIFPVBQESA-N. The full InChI is InChI=1S/C10H18O4/c1-2-3-4-5-6-8(12)10(14)9(13)7-11/h9,11,13H,2-7H2,1H3/t9-/m0/s1.
What are the key properties of (2S)-1,2-dihydroxydecane-3,4-dione?
(2S)-1,2-dihydroxydecane-3,4-dione has a molecular weight of 202.25 g/mol, XLogP of 0.45, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,2-dihydroxydecane-3,4-dione is sourced from PubChem (CID 25023206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).