2-[(1R)-1-hydroxy-5-methylhexyl]-6-methoxy-3,5-dimethylpyran-4-one

C15H24O4 — CID 156580393

IUPAC2-[(1R)-1-hydroxy-5-methylhexyl]-6-methoxy-3,5-dimethylpyran-4-one
SMILESCOc1oc([C@H](O)CCCC(C)C)c(C)c(=O)c1C
InChIInChI=1S/C15H24O4/c1-9(2)7-6-8-12(16)14-10(3)13(17)11(4)15(18-5)19-14/h9,12,16H,6-8H2,1-5H3/t12-/m1/s1
InChIKeyMAVGJTDIAPQKEP-GFCCVEGCSA-N
MW268.35 g/mol
LogP3.12
Rot. Bonds6

About 2-[(1R)-1-hydroxy-5-methylhexyl]-6-methoxy-3,5-dimethylpyran-4-one

2-[(1R)-1-hydroxy-5-methylhexyl]-6-methoxy-3,5-dimethylpyran-4-one (PubChem CID 156580393) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is 2-[(1R)-1-hydroxy-5-methylhexyl]-6-methoxy-3,5-dimethylpyran-4-one.

Molecular Properties

Compound Name2-[(1R)-1-hydroxy-5-methylhexyl]-6-methoxy-3,5-dimethylpyran-4-one
PubChem CID156580393
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Name2-[(1R)-1-hydroxy-5-methylhexyl]-6-methoxy-3,5-dimethylpyran-4-one
SMILESCOc1oc([C@H](O)CCCC(C)C)c(C)c(=O)c1C
InChIInChI=1S/C15H24O4/c1-9(2)7-6-8-12(16)14-10(3)13(17)11(4)15(18-5)19-14/h9,12,16H,6-8H2,1-5H3/t12-/m1/s1
InChIKeyMAVGJTDIAPQKEP-GFCCVEGCSA-N
XLogP3.12
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(1R)-1-hydroxy-5-methylhexyl]-6-methoxy-3,5-dimethylpyran-4-one 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 2-[(1R)-1-hydroxy-5-methylhexyl]-6-methoxy-3,5-dimethylpyran-4-one?
The IUPAC name of 2-[(1R)-1-hydroxy-5-methylhexyl]-6-methoxy-3,5-dimethylpyran-4-one (CID 156580393) is 2-[(1R)-1-hydroxy-5-methylhexyl]-6-methoxy-3,5-dimethylpyran-4-one.
What is the SMILES notation for 2-[(1R)-1-hydroxy-5-methylhexyl]-6-methoxy-3,5-dimethylpyran-4-one?
The canonical SMILES for 2-[(1R)-1-hydroxy-5-methylhexyl]-6-methoxy-3,5-dimethylpyran-4-one is COc1oc([C@H](O)CCCC(C)C)c(C)c(=O)c1C.
What is the InChIKey of 2-[(1R)-1-hydroxy-5-methylhexyl]-6-methoxy-3,5-dimethylpyran-4-one?
The InChIKey is MAVGJTDIAPQKEP-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H24O4/c1-9(2)7-6-8-12(16)14-10(3)13(17)11(4)15(18-5)19-14/h9,12,16H,6-8H2,1-5H3/t12-/m1/s1.
What are the key properties of 2-[(1R)-1-hydroxy-5-methylhexyl]-6-methoxy-3,5-dimethylpyran-4-one?
2-[(1R)-1-hydroxy-5-methylhexyl]-6-methoxy-3,5-dimethylpyran-4-one has a molecular weight of 268.35 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-hydroxy-5-methylhexyl]-6-methoxy-3,5-dimethylpyran-4-one is sourced from PubChem (CID 156580393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).