(2S,3R)-3,5-dimethyl-2-propan-2-yl-2,3-dihydropyran-4-one

C10H16O2 — CID 45096408

IUPAC(2S,3R)-3,5-dimethyl-2-propan-2-yl-2,3-dihydropyran-4-one
SMILESCC1=CO[C@@H](C(C)C)[C@@H](C)C1=O
InChIInChI=1S/C10H16O2/c1-6(2)10-8(4)9(11)7(3)5-12-10/h5-6,8,10H,1-4H3/t8-,10-/m0/s1
InChIKeyGWJORPKOMIUMKU-WPRPVWTQSA-N
MW168.24 g/mol
LogP2.15
Rot. Bonds1

About (2S,3R)-3,5-dimethyl-2-propan-2-yl-2,3-dihydropyran-4-one

(2S,3R)-3,5-dimethyl-2-propan-2-yl-2,3-dihydropyran-4-one (PubChem CID 45096408) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (2S,3R)-3,5-dimethyl-2-propan-2-yl-2,3-dihydropyran-4-one.

Molecular Properties

Compound Name(2S,3R)-3,5-dimethyl-2-propan-2-yl-2,3-dihydropyran-4-one
PubChem CID45096408
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(2S,3R)-3,5-dimethyl-2-propan-2-yl-2,3-dihydropyran-4-one
SMILESCC1=CO[C@@H](C(C)C)[C@@H](C)C1=O
InChIInChI=1S/C10H16O2/c1-6(2)10-8(4)9(11)7(3)5-12-10/h5-6,8,10H,1-4H3/t8-,10-/m0/s1
InChIKeyGWJORPKOMIUMKU-WPRPVWTQSA-N
XLogP2.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3,5-dimethyl-2-propan-2-yl-2,3-dihydropyran-4-one?
The IUPAC name of (2S,3R)-3,5-dimethyl-2-propan-2-yl-2,3-dihydropyran-4-one (CID 45096408) is (2S,3R)-3,5-dimethyl-2-propan-2-yl-2,3-dihydropyran-4-one.
What is the SMILES notation for (2S,3R)-3,5-dimethyl-2-propan-2-yl-2,3-dihydropyran-4-one?
The canonical SMILES for (2S,3R)-3,5-dimethyl-2-propan-2-yl-2,3-dihydropyran-4-one is CC1=CO[C@@H](C(C)C)[C@@H](C)C1=O.
What is the InChIKey of (2S,3R)-3,5-dimethyl-2-propan-2-yl-2,3-dihydropyran-4-one?
The InChIKey is GWJORPKOMIUMKU-WPRPVWTQSA-N. The full InChI is InChI=1S/C10H16O2/c1-6(2)10-8(4)9(11)7(3)5-12-10/h5-6,8,10H,1-4H3/t8-,10-/m0/s1.
What are the key properties of (2S,3R)-3,5-dimethyl-2-propan-2-yl-2,3-dihydropyran-4-one?
(2S,3R)-3,5-dimethyl-2-propan-2-yl-2,3-dihydropyran-4-one has a molecular weight of 168.24 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3,5-dimethyl-2-propan-2-yl-2,3-dihydropyran-4-one is sourced from PubChem (CID 45096408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).