4-hydroxy-3,5-dimethyl-6-[(E,4R,6R,8R)-4,6,8-trimethyldec-2-en-2-yl]pyran-2-one

C20H32O3 — CID 90662535

IUPAC4-hydroxy-3,5-dimethyl-6-[(E,4R,6R,8R)-4,6,8-trimethyldec-2-en-2-yl]pyran-2-one
SMILESCC[C@@H](C)C[C@@H](C)C[C@@H](C)/C=C(\C)c1oc(=O)c(C)c(O)c1C
InChIInChI=1S/C20H32O3/c1-8-12(2)9-13(3)10-14(4)11-15(5)19-16(6)18(21)17(7)20(22)23-19/h11-14,21H,8-10H2,1-7H3/b15-11+/t12-,13-,14-/m1/s1
InChIKeyZKTRNIAGKXVOQI-OXDJQUEGSA-N
MW320.47 g/mol
LogP5.46
Rot. Bonds7

About 4-hydroxy-3,5-dimethyl-6-[(E,4R,6R,8R)-4,6,8-trimethyldec-2-en-2-yl]pyran-2-one

4-hydroxy-3,5-dimethyl-6-[(E,4R,6R,8R)-4,6,8-trimethyldec-2-en-2-yl]pyran-2-one (PubChem CID 90662535) has the molecular formula C20H32O3 and a molecular weight of 320.47 g/mol. Its IUPAC name is 4-hydroxy-3,5-dimethyl-6-[(E,4R,6R,8R)-4,6,8-trimethyldec-2-en-2-yl]pyran-2-one.

Molecular Properties

Compound Name4-hydroxy-3,5-dimethyl-6-[(E,4R,6R,8R)-4,6,8-trimethyldec-2-en-2-yl]pyran-2-one
PubChem CID90662535
Molecular FormulaC20H32O3
Molecular Weight320.47 g/mol
Exact Mass320.24
IUPAC Name4-hydroxy-3,5-dimethyl-6-[(E,4R,6R,8R)-4,6,8-trimethyldec-2-en-2-yl]pyran-2-one
SMILESCC[C@@H](C)C[C@@H](C)C[C@@H](C)/C=C(\C)c1oc(=O)c(C)c(O)c1C
InChIInChI=1S/C20H32O3/c1-8-12(2)9-13(3)10-14(4)11-15(5)19-16(6)18(21)17(7)20(22)23-19/h11-14,21H,8-10H2,1-7H3/b15-11+/t12-,13-,14-/m1/s1
InChIKeyZKTRNIAGKXVOQI-OXDJQUEGSA-N
XLogP5.46
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.47
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-hydroxy-3,5-dimethyl-6-[(E,4R,6R,8R)-4,6,8-trimethyldec-2-en-2-yl]pyran-2-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 4-hydroxy-3,5-dimethyl-6-[(E,4R,6R,8R)-4,6,8-trimethyldec-2-en-2-yl]pyran-2-one?
The IUPAC name of 4-hydroxy-3,5-dimethyl-6-[(E,4R,6R,8R)-4,6,8-trimethyldec-2-en-2-yl]pyran-2-one (CID 90662535) is 4-hydroxy-3,5-dimethyl-6-[(E,4R,6R,8R)-4,6,8-trimethyldec-2-en-2-yl]pyran-2-one.
What is the SMILES notation for 4-hydroxy-3,5-dimethyl-6-[(E,4R,6R,8R)-4,6,8-trimethyldec-2-en-2-yl]pyran-2-one?
The canonical SMILES for 4-hydroxy-3,5-dimethyl-6-[(E,4R,6R,8R)-4,6,8-trimethyldec-2-en-2-yl]pyran-2-one is CC[C@@H](C)C[C@@H](C)C[C@@H](C)/C=C(\C)c1oc(=O)c(C)c(O)c1C.
What is the InChIKey of 4-hydroxy-3,5-dimethyl-6-[(E,4R,6R,8R)-4,6,8-trimethyldec-2-en-2-yl]pyran-2-one?
The InChIKey is ZKTRNIAGKXVOQI-OXDJQUEGSA-N. The full InChI is InChI=1S/C20H32O3/c1-8-12(2)9-13(3)10-14(4)11-15(5)19-16(6)18(21)17(7)20(22)23-19/h11-14,21H,8-10H2,1-7H3/b15-11+/t12-,13-,14-/m1/s1.
What are the key properties of 4-hydroxy-3,5-dimethyl-6-[(E,4R,6R,8R)-4,6,8-trimethyldec-2-en-2-yl]pyran-2-one?
4-hydroxy-3,5-dimethyl-6-[(E,4R,6R,8R)-4,6,8-trimethyldec-2-en-2-yl]pyran-2-one has a molecular weight of 320.47 g/mol, XLogP of 5.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3,5-dimethyl-6-[(E,4R,6R,8R)-4,6,8-trimethyldec-2-en-2-yl]pyran-2-one is sourced from PubChem (CID 90662535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).