(2S,3S)-2,6-diethyl-3-methyl-2,3-dihydropyran-4-one

C10H16O2 — CID 131165590

IUPAC(2S,3S)-2,6-diethyl-3-methyl-2,3-dihydropyran-4-one
SMILESCCC1=CC(=O)[C@@H](C)[C@H](CC)O1
InChIInChI=1S/C10H16O2/c1-4-8-6-9(11)7(3)10(5-2)12-8/h6-7,10H,4-5H2,1-3H3/t7-,10+/m1/s1
InChIKeyIXSKYIGTJIUVLV-XCBNKYQSSA-N
MW168.24 g/mol
LogP2.29
Rot. Bonds2

About (2S,3S)-2,6-diethyl-3-methyl-2,3-dihydropyran-4-one

(2S,3S)-2,6-diethyl-3-methyl-2,3-dihydropyran-4-one (PubChem CID 131165590) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (2S,3S)-2,6-diethyl-3-methyl-2,3-dihydropyran-4-one.

Molecular Properties

Compound Name(2S,3S)-2,6-diethyl-3-methyl-2,3-dihydropyran-4-one
PubChem CID131165590
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(2S,3S)-2,6-diethyl-3-methyl-2,3-dihydropyran-4-one
SMILESCCC1=CC(=O)[C@@H](C)[C@H](CC)O1
InChIInChI=1S/C10H16O2/c1-4-8-6-9(11)7(3)10(5-2)12-8/h6-7,10H,4-5H2,1-3H3/t7-,10+/m1/s1
InChIKeyIXSKYIGTJIUVLV-XCBNKYQSSA-N
XLogP2.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-6-propan-2-yl-3H-pyran-4-one
CID 13611567
4H-Pyran-4-one, 2-ethyl-2,3-dihydro-3,5-dimethyl-6-(1-methyl-2-oxobutyl)-, (2S,3R)-
CID 159006
Stegobinone
CID 194878
2-Cyclohexen-1-one, 5,5-dimethyl-3-(2-methylpropoxy)-
CID 558764
2-Cyclohexen-1-one, 3-ethoxy-5-methyl-
CID 10855691
4H-Pyran-4-one, 2-ethyl-2,3-dihydro-6-methyl-
CID 11434994
(2S,3R)-2,3,5-Trimethyl-6-[(2R)-3-oxopentan-2-yl]-2,3-dihydropyran-4-one
CID 10966164
Nhuvrklxarusnw-uhfffaoysa-
CID 11528380
Hepialone
CID 10942522
2,3-Dihydro-3,5-dimethyl-2,6-diethyl-4h-pyran-4-one
CID 13391759
2,3-dihydro-2,3,5-trimethyl-6-(1-methyl-1-butenyl)-4H-pyran-4-one
CID 14477211
4-Acetyl-1-ethoxycyclohexene
CID 130029165

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2,6-diethyl-3-methyl-2,3-dihydropyran-4-one?
The IUPAC name of (2S,3S)-2,6-diethyl-3-methyl-2,3-dihydropyran-4-one (CID 131165590) is (2S,3S)-2,6-diethyl-3-methyl-2,3-dihydropyran-4-one.
What is the SMILES notation for (2S,3S)-2,6-diethyl-3-methyl-2,3-dihydropyran-4-one?
The canonical SMILES for (2S,3S)-2,6-diethyl-3-methyl-2,3-dihydropyran-4-one is CCC1=CC(=O)[C@@H](C)[C@H](CC)O1.
What is the InChIKey of (2S,3S)-2,6-diethyl-3-methyl-2,3-dihydropyran-4-one?
The InChIKey is IXSKYIGTJIUVLV-XCBNKYQSSA-N. The full InChI is InChI=1S/C10H16O2/c1-4-8-6-9(11)7(3)10(5-2)12-8/h6-7,10H,4-5H2,1-3H3/t7-,10+/m1/s1.
What are the key properties of (2S,3S)-2,6-diethyl-3-methyl-2,3-dihydropyran-4-one?
(2S,3S)-2,6-diethyl-3-methyl-2,3-dihydropyran-4-one has a molecular weight of 168.24 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2,6-diethyl-3-methyl-2,3-dihydropyran-4-one is sourced from PubChem (CID 131165590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).