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

C9H14O2 — CID 170769480

IUPAC5-methyl-6-propan-2-yl-2,3-dihydropyran-4-one
SMILESCC1=C(C(C)C)OCCC1=O
InChIInChI=1S/C9H14O2/c1-6(2)9-7(3)8(10)4-5-11-9/h6H,4-5H2,1-3H3
InChIKeyXQVOWAZCBHZBJI-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.91
Rot. Bonds1

About 5-methyl-6-propan-2-yl-2,3-dihydropyran-4-one

5-methyl-6-propan-2-yl-2,3-dihydropyran-4-one (PubChem CID 170769480) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 5-methyl-6-propan-2-yl-2,3-dihydropyran-4-one.

Molecular Properties

Compound Name5-methyl-6-propan-2-yl-2,3-dihydropyran-4-one
PubChem CID170769480
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name5-methyl-6-propan-2-yl-2,3-dihydropyran-4-one
SMILESCC1=C(C(C)C)OCCC1=O
InChIInChI=1S/C9H14O2/c1-6(2)9-7(3)8(10)4-5-11-9/h6H,4-5H2,1-3H3
InChIKeyXQVOWAZCBHZBJI-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-5-propan-2-ylfuran-3-one
CID 51354983
5-bromo-6-methyl-2,3-dihydropyran-4-one
CID 10774061
5-propan-2-yl-2,3-dihydrochromen-4-one
CID 131424256
5-methyl-6-propan-2-yl-2H-pyran
CID 89041205
7-amino-8-methyl-2,3-dihydrochromen-4-one
CID 55297743
7-methyl-2,3-dihydrochromen-4-one;hydrochloride
CID 127263931
5-fluoro-8-methyl-2,3-dihydrochromen-4-one
CID 55273706
bis(2,3-dimethylcyclopent-2-en-1-one);methane
CID 157136451
3,5,11,14-tetraoxatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),7(12)-triene-8,17-dione
CID 54769974
5-bromo-8-methyl-2,3-dihydrochromen-4-one
CID 103693810
4,5,6-tri(propan-2-yl)-2,3-dihydro-1,4-oxazine
CID 90075952
8-fluoro-6-methyl-2,3-dihydrochromen-4-one
CID 55297608

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-propan-2-yl-2,3-dihydropyran-4-one?
The IUPAC name of 5-methyl-6-propan-2-yl-2,3-dihydropyran-4-one (CID 170769480) is 5-methyl-6-propan-2-yl-2,3-dihydropyran-4-one.
What is the SMILES notation for 5-methyl-6-propan-2-yl-2,3-dihydropyran-4-one?
The canonical SMILES for 5-methyl-6-propan-2-yl-2,3-dihydropyran-4-one is CC1=C(C(C)C)OCCC1=O.
What is the InChIKey of 5-methyl-6-propan-2-yl-2,3-dihydropyran-4-one?
The InChIKey is XQVOWAZCBHZBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-6(2)9-7(3)8(10)4-5-11-9/h6H,4-5H2,1-3H3.
What are the key properties of 5-methyl-6-propan-2-yl-2,3-dihydropyran-4-one?
5-methyl-6-propan-2-yl-2,3-dihydropyran-4-one has a molecular weight of 154.21 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-propan-2-yl-2,3-dihydropyran-4-one is sourced from PubChem (CID 170769480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).