(4R)-4-ethyl-4-hydroxy-6,6-dimethylheptane-2,5-dione

C11H20O3 — CID 163696091

IUPAC(4R)-4-ethyl-4-hydroxy-6,6-dimethylheptane-2,5-dione
SMILESCC[C@@](O)(CC(C)=O)C(=O)C(C)(C)C
InChIInChI=1S/C11H20O3/c1-6-11(14,7-8(2)12)9(13)10(3,4)5/h14H,6-7H2,1-5H3/t11-/m1/s1
InChIKeyFVHDRSCNRMTYLF-LLVKDONJSA-N
MW200.28 g/mol
LogP1.72
Rot. Bonds4

About (4R)-4-ethyl-4-hydroxy-6,6-dimethylheptane-2,5-dione

(4R)-4-ethyl-4-hydroxy-6,6-dimethylheptane-2,5-dione (PubChem CID 163696091) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is (4R)-4-ethyl-4-hydroxy-6,6-dimethylheptane-2,5-dione.

Molecular Properties

Compound Name(4R)-4-ethyl-4-hydroxy-6,6-dimethylheptane-2,5-dione
PubChem CID163696091
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name(4R)-4-ethyl-4-hydroxy-6,6-dimethylheptane-2,5-dione
SMILESCC[C@@](O)(CC(C)=O)C(=O)C(C)(C)C
InChIInChI=1S/C11H20O3/c1-6-11(14,7-8(2)12)9(13)10(3,4)5/h14H,6-7H2,1-5H3/t11-/m1/s1
InChIKeyFVHDRSCNRMTYLF-LLVKDONJSA-N
XLogP1.72
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4R)-4-ethyl-4-hydroxy-6,6-dimethylheptane-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R)-4-ethyl-4-hydroxy-6,6-dimethylheptane-2,5-dione?
The IUPAC name of (4R)-4-ethyl-4-hydroxy-6,6-dimethylheptane-2,5-dione (CID 163696091) is (4R)-4-ethyl-4-hydroxy-6,6-dimethylheptane-2,5-dione.
What is the SMILES notation for (4R)-4-ethyl-4-hydroxy-6,6-dimethylheptane-2,5-dione?
The canonical SMILES for (4R)-4-ethyl-4-hydroxy-6,6-dimethylheptane-2,5-dione is CC[C@@](O)(CC(C)=O)C(=O)C(C)(C)C.
What is the InChIKey of (4R)-4-ethyl-4-hydroxy-6,6-dimethylheptane-2,5-dione?
The InChIKey is FVHDRSCNRMTYLF-LLVKDONJSA-N. The full InChI is InChI=1S/C11H20O3/c1-6-11(14,7-8(2)12)9(13)10(3,4)5/h14H,6-7H2,1-5H3/t11-/m1/s1.
What are the key properties of (4R)-4-ethyl-4-hydroxy-6,6-dimethylheptane-2,5-dione?
(4R)-4-ethyl-4-hydroxy-6,6-dimethylheptane-2,5-dione has a molecular weight of 200.28 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-ethyl-4-hydroxy-6,6-dimethylheptane-2,5-dione is sourced from PubChem (CID 163696091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).