(8R)-8-hydroxy-3,4,7,7-tetramethyldecane-2,5,6-trione

C14H24O4 — CID 123886978

IUPAC(8R)-8-hydroxy-3,4,7,7-tetramethyldecane-2,5,6-trione
SMILESCC[C@@H](O)C(C)(C)C(=O)C(=O)C(C)C(C)C(C)=O
InChIInChI=1S/C14H24O4/c1-7-11(16)14(5,6)13(18)12(17)9(3)8(2)10(4)15/h8-9,11,16H,7H2,1-6H3/t8?,9?,11-/m1/s1
InChIKeyXQCJRXCBZMPRPP-NWGYLPEXSA-N
MW256.34 g/mol
LogP1.78
Rot. Bonds7

About (8R)-8-hydroxy-3,4,7,7-tetramethyldecane-2,5,6-trione

(8R)-8-hydroxy-3,4,7,7-tetramethyldecane-2,5,6-trione (PubChem CID 123886978) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is (8R)-8-hydroxy-3,4,7,7-tetramethyldecane-2,5,6-trione.

Molecular Properties

Compound Name(8R)-8-hydroxy-3,4,7,7-tetramethyldecane-2,5,6-trione
PubChem CID123886978
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Name(8R)-8-hydroxy-3,4,7,7-tetramethyldecane-2,5,6-trione
SMILESCC[C@@H](O)C(C)(C)C(=O)C(=O)C(C)C(C)C(C)=O
InChIInChI=1S/C14H24O4/c1-7-11(16)14(5,6)13(18)12(17)9(3)8(2)10(4)15/h8-9,11,16H,7H2,1-6H3/t8?,9?,11-/m1/s1
InChIKeyXQCJRXCBZMPRPP-NWGYLPEXSA-N
XLogP1.78
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,3-dimethylbutan-2-one;2-methylbutane
CID 91459434
(3S,4R)-5-ethyl-4-hydroxy-3-methylheptan-2-one
CID 165348776
3,4,4,6,6,7-hexahydroxynonan-5-one
CID 155126686
3,4,5-trimethylheptan-2-one
CID 71402381
acetic acid;2-methylbutane
CID 172862544
1,1-dihydroxypropan-2-one;propane-1,1,1-triol
CID 141396030
3,4-dimethyloctane-2,5-dione
CID 59801697
(3R,4S)-4-hydroxy-3-methylheptan-2-one
CID 13172578
2,3-dimethyl-4-oxopentanoic acid
CID 15560603
acetic acid;bis(butan-2-ol)
CID 139558658
(4R,5R)-5-hydroxy-2,2,4-trimethylheptan-3-one
CID 131857696
3-ethyl-2,2-dimethyl-4-oxopentanoic acid
CID 174469035

Frequently Asked Questions

What is the IUPAC name of (8R)-8-hydroxy-3,4,7,7-tetramethyldecane-2,5,6-trione?
The IUPAC name of (8R)-8-hydroxy-3,4,7,7-tetramethyldecane-2,5,6-trione (CID 123886978) is (8R)-8-hydroxy-3,4,7,7-tetramethyldecane-2,5,6-trione.
What is the SMILES notation for (8R)-8-hydroxy-3,4,7,7-tetramethyldecane-2,5,6-trione?
The canonical SMILES for (8R)-8-hydroxy-3,4,7,7-tetramethyldecane-2,5,6-trione is CC[C@@H](O)C(C)(C)C(=O)C(=O)C(C)C(C)C(C)=O.
What is the InChIKey of (8R)-8-hydroxy-3,4,7,7-tetramethyldecane-2,5,6-trione?
The InChIKey is XQCJRXCBZMPRPP-NWGYLPEXSA-N. The full InChI is InChI=1S/C14H24O4/c1-7-11(16)14(5,6)13(18)12(17)9(3)8(2)10(4)15/h8-9,11,16H,7H2,1-6H3/t8?,9?,11-/m1/s1.
What are the key properties of (8R)-8-hydroxy-3,4,7,7-tetramethyldecane-2,5,6-trione?
(8R)-8-hydroxy-3,4,7,7-tetramethyldecane-2,5,6-trione has a molecular weight of 256.34 g/mol, XLogP of 1.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-8-hydroxy-3,4,7,7-tetramethyldecane-2,5,6-trione is sourced from PubChem (CID 123886978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).