(4R)-4-hydroxy-5-methylhexan-2-one

C7H14O2 — CID 10997073

IUPAC(4R)-4-hydroxy-5-methylhexan-2-one
SMILESCC(=O)C[C@@H](O)C(C)C
InChIInChI=1S/C7H14O2/c1-5(2)7(9)4-6(3)8/h5,7,9H,4H2,1-3H3/t7-/m1/s1
InChIKeyBXQODTBLKZARFD-SSDOTTSWSA-N
MW130.19 g/mol
LogP0.98
Rot. Bonds3

About (4R)-4-hydroxy-5-methylhexan-2-one

(4R)-4-hydroxy-5-methylhexan-2-one (PubChem CID 10997073) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is (4R)-4-hydroxy-5-methylhexan-2-one.

Molecular Properties

Compound Name(4R)-4-hydroxy-5-methylhexan-2-one
PubChem CID10997073
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name(4R)-4-hydroxy-5-methylhexan-2-one
SMILESCC(=O)C[C@@H](O)C(C)C
InChIInChI=1S/C7H14O2/c1-5(2)7(9)4-6(3)8/h5,7,9H,4H2,1-3H3/t7-/m1/s1
InChIKeyBXQODTBLKZARFD-SSDOTTSWSA-N
XLogP0.98
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-hydroxy-5-methylhexan-2-one?
The IUPAC name of (4R)-4-hydroxy-5-methylhexan-2-one (CID 10997073) is (4R)-4-hydroxy-5-methylhexan-2-one.
What is the SMILES notation for (4R)-4-hydroxy-5-methylhexan-2-one?
The canonical SMILES for (4R)-4-hydroxy-5-methylhexan-2-one is CC(=O)C[C@@H](O)C(C)C.
What is the InChIKey of (4R)-4-hydroxy-5-methylhexan-2-one?
The InChIKey is BXQODTBLKZARFD-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H14O2/c1-5(2)7(9)4-6(3)8/h5,7,9H,4H2,1-3H3/t7-/m1/s1.
What are the key properties of (4R)-4-hydroxy-5-methylhexan-2-one?
(4R)-4-hydroxy-5-methylhexan-2-one has a molecular weight of 130.19 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-hydroxy-5-methylhexan-2-one is sourced from PubChem (CID 10997073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).