(2S)-5-methyl-2-propyl-2,3-dihydropyran-4-one

C9H14O2 — CID 130736036

IUPAC(2S)-5-methyl-2-propyl-2,3-dihydropyran-4-one
SMILESCCC[C@H]1CC(=O)C(C)=CO1
InChIInChI=1S/C9H14O2/c1-3-4-8-5-9(10)7(2)6-11-8/h6,8H,3-5H2,1-2H3/t8-/m0/s1
InChIKeyCXGOWKLCQKCGIW-QMMMGPOBSA-N
MW154.21 g/mol
LogP2.05
Rot. Bonds2

About (2S)-5-methyl-2-propyl-2,3-dihydropyran-4-one

(2S)-5-methyl-2-propyl-2,3-dihydropyran-4-one (PubChem CID 130736036) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is (2S)-5-methyl-2-propyl-2,3-dihydropyran-4-one.

Molecular Properties

Compound Name(2S)-5-methyl-2-propyl-2,3-dihydropyran-4-one
PubChem CID130736036
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name(2S)-5-methyl-2-propyl-2,3-dihydropyran-4-one
SMILESCCC[C@H]1CC(=O)C(C)=CO1
InChIInChI=1S/C9H14O2/c1-3-4-8-5-9(10)7(2)6-11-8/h6,8H,3-5H2,1-2H3/t8-/m0/s1
InChIKeyCXGOWKLCQKCGIW-QMMMGPOBSA-N
XLogP2.05
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 ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-heptyl-5-methyl-2,3-dihydropyran-4-one
CID 135075580
5-methyl-2-(4-methylphenyl)-2,3-dihydropyran-4-one
CID 86228803
5-butyl-2-methylcyclohex-2-en-1-one
CID 12827096
(3E)-3-(hydroxymethylidene)-5-propyloxolan-2-one
CID 45083163
5-trimethylsilyloxy-2-(trimethylsilyloxymethyl)-2,3-dihydropyran-4-one
CID 101261490
(2S,3S)-2-butyl-3,5-dimethyl-2,3-dihydropyran-4-one
CID 14090580
3-propyl-3,4-dihydroisochromen-1-one
CID 11116834
(2S)-2-heptyl-2,3-dihydropyran-4-one
CID 57164485
(5S)-3-methyl-5-propyl-4,5-dihydro-1,2-oxazole
CID 58667247
(5R)-3-methyl-5-propyl-4,5-dihydrocyclopenta[b]furan-6-one
CID 163887458
(3E,6R)-3-(1-hydroxydodecylidene)-6-propyloxane-2,4-dione
CID 122407202
(3Z)-3-(1-hydroxytetradecylidene)-6-propyloxane-2,4-dione
CID 54713804

Frequently Asked Questions

What is the IUPAC name of (2S)-5-methyl-2-propyl-2,3-dihydropyran-4-one?
The IUPAC name of (2S)-5-methyl-2-propyl-2,3-dihydropyran-4-one (CID 130736036) is (2S)-5-methyl-2-propyl-2,3-dihydropyran-4-one.
What is the SMILES notation for (2S)-5-methyl-2-propyl-2,3-dihydropyran-4-one?
The canonical SMILES for (2S)-5-methyl-2-propyl-2,3-dihydropyran-4-one is CCC[C@H]1CC(=O)C(C)=CO1.
What is the InChIKey of (2S)-5-methyl-2-propyl-2,3-dihydropyran-4-one?
The InChIKey is CXGOWKLCQKCGIW-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H14O2/c1-3-4-8-5-9(10)7(2)6-11-8/h6,8H,3-5H2,1-2H3/t8-/m0/s1.
What are the key properties of (2S)-5-methyl-2-propyl-2,3-dihydropyran-4-one?
(2S)-5-methyl-2-propyl-2,3-dihydropyran-4-one has a molecular weight of 154.21 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-methyl-2-propyl-2,3-dihydropyran-4-one is sourced from PubChem (CID 130736036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).