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

C9H14O2 — CID 11686940

IUPAC6-methyl-2-propan-2-yl-2,3-dihydropyran-4-one
SMILESCC1=CC(=O)CC(C(C)C)O1
InChIInChI=1S/C9H14O2/c1-6(2)9-5-8(10)4-7(3)11-9/h4,6,9H,5H2,1-3H3
InChIKeyZWMUNGDGCKGQTR-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.90
Rot. Bonds1

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

6-methyl-2-propan-2-yl-2,3-dihydropyran-4-one (PubChem CID 11686940) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 6-methyl-2-propan-2-yl-2,3-dihydropyran-4-one.

Molecular Properties

Compound Name6-methyl-2-propan-2-yl-2,3-dihydropyran-4-one
PubChem CID11686940
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name6-methyl-2-propan-2-yl-2,3-dihydropyran-4-one
SMILESCC1=CC(=O)CC(C(C)C)O1
InChIInChI=1S/C9H14O2/c1-6(2)9-5-8(10)4-7(3)11-9/h4,6,9H,5H2,1-3H3
InChIKeyZWMUNGDGCKGQTR-UHFFFAOYSA-N
XLogP1.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-propan-2-yl-2,3-dihydropyran-4-one?
The IUPAC name of 6-methyl-2-propan-2-yl-2,3-dihydropyran-4-one (CID 11686940) is 6-methyl-2-propan-2-yl-2,3-dihydropyran-4-one.
What is the SMILES notation for 6-methyl-2-propan-2-yl-2,3-dihydropyran-4-one?
The canonical SMILES for 6-methyl-2-propan-2-yl-2,3-dihydropyran-4-one is CC1=CC(=O)CC(C(C)C)O1.
What is the InChIKey of 6-methyl-2-propan-2-yl-2,3-dihydropyran-4-one?
The InChIKey is ZWMUNGDGCKGQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-6(2)9-5-8(10)4-7(3)11-9/h4,6,9H,5H2,1-3H3.
What are the key properties of 6-methyl-2-propan-2-yl-2,3-dihydropyran-4-one?
6-methyl-2-propan-2-yl-2,3-dihydropyran-4-one has a molecular weight of 154.21 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-propan-2-yl-2,3-dihydropyran-4-one is sourced from PubChem (CID 11686940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).