6-methoxy-2-propan-2-yl-2,3-dihydropyran-4-one

C9H14O3 — CID 13250339

IUPAC6-methoxy-2-propan-2-yl-2,3-dihydropyran-4-one
SMILESCOC1=CC(=O)CC(C(C)C)O1
InChIInChI=1S/C9H14O3/c1-6(2)8-4-7(10)5-9(11-3)12-8/h5-6,8H,4H2,1-3H3
InChIKeyLFWBOZJJGYRLIA-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.49
Rot. Bonds2

About 6-methoxy-2-propan-2-yl-2,3-dihydropyran-4-one

6-methoxy-2-propan-2-yl-2,3-dihydropyran-4-one (PubChem CID 13250339) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is 6-methoxy-2-propan-2-yl-2,3-dihydropyran-4-one.

Molecular Properties

Compound Name6-methoxy-2-propan-2-yl-2,3-dihydropyran-4-one
PubChem CID13250339
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name6-methoxy-2-propan-2-yl-2,3-dihydropyran-4-one
SMILESCOC1=CC(=O)CC(C(C)C)O1
InChIInChI=1S/C9H14O3/c1-6(2)8-4-7(10)5-9(11-3)12-8/h5-6,8H,4H2,1-3H3
InChIKeyLFWBOZJJGYRLIA-UHFFFAOYSA-N
XLogP1.49
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-methoxy-2-propan-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 6-methoxy-2-propan-2-yl-2,3-dihydropyran-4-one?
The IUPAC name of 6-methoxy-2-propan-2-yl-2,3-dihydropyran-4-one (CID 13250339) is 6-methoxy-2-propan-2-yl-2,3-dihydropyran-4-one.
What is the SMILES notation for 6-methoxy-2-propan-2-yl-2,3-dihydropyran-4-one?
The canonical SMILES for 6-methoxy-2-propan-2-yl-2,3-dihydropyran-4-one is COC1=CC(=O)CC(C(C)C)O1.
What is the InChIKey of 6-methoxy-2-propan-2-yl-2,3-dihydropyran-4-one?
The InChIKey is LFWBOZJJGYRLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c1-6(2)8-4-7(10)5-9(11-3)12-8/h5-6,8H,4H2,1-3H3.
What are the key properties of 6-methoxy-2-propan-2-yl-2,3-dihydropyran-4-one?
6-methoxy-2-propan-2-yl-2,3-dihydropyran-4-one has a molecular weight of 170.21 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-propan-2-yl-2,3-dihydropyran-4-one is sourced from PubChem (CID 13250339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).