6-[(2R,3E,6E)-4,6-dimethylocta-3,6-dien-2-yl]-2-methoxy-3-methylpyran-4-one

C17H24O3 — CID 170988556

IUPAC6-[(2R,3E,6E)-4,6-dimethylocta-3,6-dien-2-yl]-2-methoxy-3-methylpyran-4-one
SMILESC/C=C(\C)C/C(C)=C/[C@@H](C)c1cc(=O)c(C)c(OC)o1
InChIInChI=1S/C17H24O3/c1-7-11(2)8-12(3)9-13(4)16-10-15(18)14(5)17(19-6)20-16/h7,9-10,13H,8H2,1-6H3/b11-7+,12-9+/t13-/m1/s1
InChIKeyGZJDKIXVRJJVHW-GCFXRFONSA-N
MW276.38 g/mol
LogP4.36
Rot. Bonds5

About 6-[(2R,3E,6E)-4,6-dimethylocta-3,6-dien-2-yl]-2-methoxy-3-methylpyran-4-one

6-[(2R,3E,6E)-4,6-dimethylocta-3,6-dien-2-yl]-2-methoxy-3-methylpyran-4-one (PubChem CID 170988556) has the molecular formula C17H24O3 and a molecular weight of 276.38 g/mol. Its IUPAC name is 6-[(2R,3E,6E)-4,6-dimethylocta-3,6-dien-2-yl]-2-methoxy-3-methylpyran-4-one.

Molecular Properties

Compound Name6-[(2R,3E,6E)-4,6-dimethylocta-3,6-dien-2-yl]-2-methoxy-3-methylpyran-4-one
PubChem CID170988556
Molecular FormulaC17H24O3
Molecular Weight276.38 g/mol
Exact Mass276.17
IUPAC Name6-[(2R,3E,6E)-4,6-dimethylocta-3,6-dien-2-yl]-2-methoxy-3-methylpyran-4-one
SMILESC/C=C(\C)C/C(C)=C/[C@@H](C)c1cc(=O)c(C)c(OC)o1
InChIInChI=1S/C17H24O3/c1-7-11(2)8-12(3)9-13(4)16-10-15(18)14(5)17(19-6)20-16/h7,9-10,13H,8H2,1-6H3/b11-7+,12-9+/t13-/m1/s1
InChIKeyGZJDKIXVRJJVHW-GCFXRFONSA-N
XLogP4.36
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 6-[(2R,3E,6E)-4,6-dimethylocta-3,6-dien-2-yl]-2-methoxy-3-methylpyran-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

Related Compounds

Placidene A
CID 11459698
Verticipyrone
CID 10149757
Cyercene A
CID 11346051
Isoplacidene A
CID 11161330
Fusarester E
CID 146682275
4H-Pyran-4-one, 2-methoxy-3,5,6-trimethyl-
CID 11845201
2-Methoxy-3,5-dimethyl-6-(3-methylundec-2-enyl)pyran-4-one
CID 86222555
2-methoxy-3,5-dimethyl-6-[(2E,4Z,6E,8E)-4,6,8-trimethylundeca-2,4,6,8-tetraen-2-yl]pyran-4-one
CID 11198667
2-Ethyl-6-methoxy-3,5-dimethylpyran-4-one
CID 11816237
2-methoxy-3,5-dimethyl-6-[(2E,4E,6E,8E)-4,6,8-trimethylundeca-2,4,6,8-tetraen-2-yl]pyran-4-one
CID 24970722
2-Methoxy-3,5-dimethyl-6-((2z,4e,6e)-4,6,9-trimethyldeca-2,4,6-trien-2-yl)-4h-pyran-4-one
CID 25098855
2-Methoxy-3,5-dimethyl-6-((2e,4e,6e)-4,6,9-trimethyldeca-2,4,6-trien-2-yl)-4h-pyran-4-one
CID 42636490

Frequently Asked Questions

What is the IUPAC name of 6-[(2R,3E,6E)-4,6-dimethylocta-3,6-dien-2-yl]-2-methoxy-3-methylpyran-4-one?
The IUPAC name of 6-[(2R,3E,6E)-4,6-dimethylocta-3,6-dien-2-yl]-2-methoxy-3-methylpyran-4-one (CID 170988556) is 6-[(2R,3E,6E)-4,6-dimethylocta-3,6-dien-2-yl]-2-methoxy-3-methylpyran-4-one.
What is the SMILES notation for 6-[(2R,3E,6E)-4,6-dimethylocta-3,6-dien-2-yl]-2-methoxy-3-methylpyran-4-one?
The canonical SMILES for 6-[(2R,3E,6E)-4,6-dimethylocta-3,6-dien-2-yl]-2-methoxy-3-methylpyran-4-one is C/C=C(\C)C/C(C)=C/[C@@H](C)c1cc(=O)c(C)c(OC)o1.
What is the InChIKey of 6-[(2R,3E,6E)-4,6-dimethylocta-3,6-dien-2-yl]-2-methoxy-3-methylpyran-4-one?
The InChIKey is GZJDKIXVRJJVHW-GCFXRFONSA-N. The full InChI is InChI=1S/C17H24O3/c1-7-11(2)8-12(3)9-13(4)16-10-15(18)14(5)17(19-6)20-16/h7,9-10,13H,8H2,1-6H3/b11-7+,12-9+/t13-/m1/s1.
What are the key properties of 6-[(2R,3E,6E)-4,6-dimethylocta-3,6-dien-2-yl]-2-methoxy-3-methylpyran-4-one?
6-[(2R,3E,6E)-4,6-dimethylocta-3,6-dien-2-yl]-2-methoxy-3-methylpyran-4-one has a molecular weight of 276.38 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R,3E,6E)-4,6-dimethylocta-3,6-dien-2-yl]-2-methoxy-3-methylpyran-4-one is sourced from PubChem (CID 170988556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).