(2R,3S)-3-methyl-2-propan-2-yl-2,3-dihydropyran-6-one

C9H14O2 — CID 14692168

IUPAC(2R,3S)-3-methyl-2-propan-2-yl-2,3-dihydropyran-6-one
SMILESCC(C)[C@H]1OC(=O)C=C[C@@H]1C
InChIInChI=1S/C9H14O2/c1-6(2)9-7(3)4-5-8(10)11-9/h4-7,9H,1-3H3/t7-,9+/m0/s1
InChIKeyJLDQMVGILWMRFL-IONNQARKSA-N
MW154.21 g/mol
LogP1.76
Rot. Bonds1

About (2R,3S)-3-methyl-2-propan-2-yl-2,3-dihydropyran-6-one

(2R,3S)-3-methyl-2-propan-2-yl-2,3-dihydropyran-6-one (PubChem CID 14692168) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is (2R,3S)-3-methyl-2-propan-2-yl-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name(2R,3S)-3-methyl-2-propan-2-yl-2,3-dihydropyran-6-one
PubChem CID14692168
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name(2R,3S)-3-methyl-2-propan-2-yl-2,3-dihydropyran-6-one
SMILESCC(C)[C@H]1OC(=O)C=C[C@@H]1C
InChIInChI=1S/C9H14O2/c1-6(2)9-7(3)4-5-8(10)11-9/h4-7,9H,1-3H3/t7-,9+/m0/s1
InChIKeyJLDQMVGILWMRFL-IONNQARKSA-N
XLogP1.76
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 ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2R,3S)-3-methyl-2-propan-2-yl-2,3-dihydropyran-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-methyl-2-propan-2-yl-2,3-dihydropyran-6-one?
The IUPAC name of (2R,3S)-3-methyl-2-propan-2-yl-2,3-dihydropyran-6-one (CID 14692168) is (2R,3S)-3-methyl-2-propan-2-yl-2,3-dihydropyran-6-one.
What is the SMILES notation for (2R,3S)-3-methyl-2-propan-2-yl-2,3-dihydropyran-6-one?
The canonical SMILES for (2R,3S)-3-methyl-2-propan-2-yl-2,3-dihydropyran-6-one is CC(C)[C@H]1OC(=O)C=C[C@@H]1C.
What is the InChIKey of (2R,3S)-3-methyl-2-propan-2-yl-2,3-dihydropyran-6-one?
The InChIKey is JLDQMVGILWMRFL-IONNQARKSA-N. The full InChI is InChI=1S/C9H14O2/c1-6(2)9-7(3)4-5-8(10)11-9/h4-7,9H,1-3H3/t7-,9+/m0/s1.
What are the key properties of (2R,3S)-3-methyl-2-propan-2-yl-2,3-dihydropyran-6-one?
(2R,3S)-3-methyl-2-propan-2-yl-2,3-dihydropyran-6-one has a molecular weight of 154.21 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-methyl-2-propan-2-yl-2,3-dihydropyran-6-one is sourced from PubChem (CID 14692168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).