3-methyl-2-propyl-2,3-dihydropyran-4-one

C9H14O2 — CID 15629658

IUPAC3-methyl-2-propyl-2,3-dihydropyran-4-one
SMILESCCCC1OC=CC(=O)C1C
InChIInChI=1S/C9H14O2/c1-3-4-9-7(2)8(10)5-6-11-9/h5-7,9H,3-4H2,1-2H3
InChIKeySDECKAOEBOQWFC-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.90
Rot. Bonds2

About 3-methyl-2-propyl-2,3-dihydropyran-4-one

3-methyl-2-propyl-2,3-dihydropyran-4-one (PubChem CID 15629658) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 3-methyl-2-propyl-2,3-dihydropyran-4-one.

Molecular Properties

Compound Name3-methyl-2-propyl-2,3-dihydropyran-4-one
PubChem CID15629658
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name3-methyl-2-propyl-2,3-dihydropyran-4-one
SMILESCCCC1OC=CC(=O)C1C
InChIInChI=1S/C9H14O2/c1-3-4-9-7(2)8(10)5-6-11-9/h5-7,9H,3-4H2,1-2H3
InChIKeySDECKAOEBOQWFC-UHFFFAOYSA-N
XLogP1.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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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Related Compounds

2-(Propan-2-yl)-2,3-dihydro-4H-pyran-4-one
CID 12789094
2-cyclopropyl-3,4-dihydro-2H-pyran-4-one
CID 64105750
(2S)-2-methyl-2-propanoyl-3H-pyran-4-one
CID 100917860
5-Methyl-2-propan-2-yl-2,3-dihydropyran-4-one
CID 130036481
(3R)-3-methyl-2-pentyl-2,3-dihydropyran-4-one
CID 135080588
2-Ethyl-3,5-dimethyl-2,3-dihydropyran-4-one
CID 74320459
(2S)-2-propyl-2,3-dihydropyran-4-one
CID 11228847
2-Tert-butyl-2,3-dihydropyran-4-one
CID 11378618
4H-Pyran-4-one, 2-ethyl-2,3-dihydro-2-methyl-
CID 12308375
2-propyl-2,3-dihydro-4H-pyran-4-one
CID 13197911
(2R)-2-propyl-2,3-dihydropyran-4-one
CID 13197912
1-(2-Methyl-3,4-dihydropyran-2-yl)propan-2-one
CID 20314068

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-propyl-2,3-dihydropyran-4-one?
The IUPAC name of 3-methyl-2-propyl-2,3-dihydropyran-4-one (CID 15629658) is 3-methyl-2-propyl-2,3-dihydropyran-4-one.
What is the SMILES notation for 3-methyl-2-propyl-2,3-dihydropyran-4-one?
The canonical SMILES for 3-methyl-2-propyl-2,3-dihydropyran-4-one is CCCC1OC=CC(=O)C1C.
What is the InChIKey of 3-methyl-2-propyl-2,3-dihydropyran-4-one?
The InChIKey is SDECKAOEBOQWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-3-4-9-7(2)8(10)5-6-11-9/h5-7,9H,3-4H2,1-2H3.
What are the key properties of 3-methyl-2-propyl-2,3-dihydropyran-4-one?
3-methyl-2-propyl-2,3-dihydropyran-4-one has a molecular weight of 154.21 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-propyl-2,3-dihydropyran-4-one is sourced from PubChem (CID 15629658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).