2,3,5-trimethyl-6-pent-2-en-2-yl-2,3-dihydropyran-4-one

C13H20O2 — CID 54478558

IUPAC2,3,5-trimethyl-6-pent-2-en-2-yl-2,3-dihydropyran-4-one
SMILESCCC=C(C)C1=C(C)C(=O)C(C)C(C)O1
InChIInChI=1S/C13H20O2/c1-6-7-8(2)13-10(4)12(14)9(3)11(5)15-13/h7,9,11H,6H2,1-5H3
InChIKeyXNIRJJUVFFMFPY-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.24
Rot. Bonds2

About 2,3,5-trimethyl-6-pent-2-en-2-yl-2,3-dihydropyran-4-one

2,3,5-trimethyl-6-pent-2-en-2-yl-2,3-dihydropyran-4-one (PubChem CID 54478558) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 2,3,5-trimethyl-6-pent-2-en-2-yl-2,3-dihydropyran-4-one.

Molecular Properties

Compound Name2,3,5-trimethyl-6-pent-2-en-2-yl-2,3-dihydropyran-4-one
PubChem CID54478558
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name2,3,5-trimethyl-6-pent-2-en-2-yl-2,3-dihydropyran-4-one
SMILESCCC=C(C)C1=C(C)C(=O)C(C)C(C)O1
InChIInChI=1S/C13H20O2/c1-6-7-8(2)13-10(4)12(14)9(3)11(5)15-13/h7,9,11H,6H2,1-5H3
InChIKeyXNIRJJUVFFMFPY-UHFFFAOYSA-N
XLogP3.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,3,5-trimethyl-6-pent-2-en-2-yl-2,3-dihydropyran-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 2,3,5-trimethyl-6-pent-2-en-2-yl-2,3-dihydropyran-4-one?
The IUPAC name of 2,3,5-trimethyl-6-pent-2-en-2-yl-2,3-dihydropyran-4-one (CID 54478558) is 2,3,5-trimethyl-6-pent-2-en-2-yl-2,3-dihydropyran-4-one.
What is the SMILES notation for 2,3,5-trimethyl-6-pent-2-en-2-yl-2,3-dihydropyran-4-one?
The canonical SMILES for 2,3,5-trimethyl-6-pent-2-en-2-yl-2,3-dihydropyran-4-one is CCC=C(C)C1=C(C)C(=O)C(C)C(C)O1.
What is the InChIKey of 2,3,5-trimethyl-6-pent-2-en-2-yl-2,3-dihydropyran-4-one?
The InChIKey is XNIRJJUVFFMFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-6-7-8(2)13-10(4)12(14)9(3)11(5)15-13/h7,9,11H,6H2,1-5H3.
What are the key properties of 2,3,5-trimethyl-6-pent-2-en-2-yl-2,3-dihydropyran-4-one?
2,3,5-trimethyl-6-pent-2-en-2-yl-2,3-dihydropyran-4-one has a molecular weight of 208.30 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trimethyl-6-pent-2-en-2-yl-2,3-dihydropyran-4-one is sourced from PubChem (CID 54478558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).