(2S,3S)-2,3,4-trimethyl-2,3-dihydropyran-6-one

C8H12O2 — CID 59751085

IUPAC(2S,3S)-2,3,4-trimethyl-2,3-dihydropyran-6-one
SMILESCC1=CC(=O)O[C@@H](C)[C@H]1C
InChIInChI=1S/C8H12O2/c1-5-4-8(9)10-7(3)6(5)2/h4,6-7H,1-3H3/t6-,7-/m0/s1
InChIKeyZGRTURSLMRZVDK-BQBZGAKWSA-N
MW140.18 g/mol
LogP1.51
Rot. Bonds

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

(2S,3S)-2,3,4-trimethyl-2,3-dihydropyran-6-one (PubChem CID 59751085) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is (2S,3S)-2,3,4-trimethyl-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name(2S,3S)-2,3,4-trimethyl-2,3-dihydropyran-6-one
PubChem CID59751085
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name(2S,3S)-2,3,4-trimethyl-2,3-dihydropyran-6-one
SMILESCC1=CC(=O)O[C@@H](C)[C@H]1C
InChIInChI=1S/C8H12O2/c1-5-4-8(9)10-7(3)6(5)2/h4,6-7H,1-3H3/t6-,7-/m0/s1
InChIKeyZGRTURSLMRZVDK-BQBZGAKWSA-N
XLogP1.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2,3,4-trimethyl-2,3-dihydropyran-6-one?
The IUPAC name of (2S,3S)-2,3,4-trimethyl-2,3-dihydropyran-6-one (CID 59751085) is (2S,3S)-2,3,4-trimethyl-2,3-dihydropyran-6-one.
What is the SMILES notation for (2S,3S)-2,3,4-trimethyl-2,3-dihydropyran-6-one?
The canonical SMILES for (2S,3S)-2,3,4-trimethyl-2,3-dihydropyran-6-one is CC1=CC(=O)O[C@@H](C)[C@H]1C.
What is the InChIKey of (2S,3S)-2,3,4-trimethyl-2,3-dihydropyran-6-one?
The InChIKey is ZGRTURSLMRZVDK-BQBZGAKWSA-N. The full InChI is InChI=1S/C8H12O2/c1-5-4-8(9)10-7(3)6(5)2/h4,6-7H,1-3H3/t6-,7-/m0/s1.
What are the key properties of (2S,3S)-2,3,4-trimethyl-2,3-dihydropyran-6-one?
(2S,3S)-2,3,4-trimethyl-2,3-dihydropyran-6-one has a molecular weight of 140.18 g/mol, XLogP of 1.51, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2,3,4-trimethyl-2,3-dihydropyran-6-one is sourced from PubChem (CID 59751085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).