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

C10H16O2 — CID 130930877

IUPAC(2R,3S)-3-ethyl-2-propan-2-yl-2,3-dihydropyran-4-one
SMILESCC[C@@H]1C(=O)C=CO[C@@H]1C(C)C
InChIInChI=1S/C10H16O2/c1-4-8-9(11)5-6-12-10(8)7(2)3/h5-8,10H,4H2,1-3H3/t8-,10-/m1/s1
InChIKeyBVEHPWWXZAGZGS-PSASIEDQSA-N
MW168.24 g/mol
LogP2.15
Rot. Bonds2

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

(2R,3S)-3-ethyl-2-propan-2-yl-2,3-dihydropyran-4-one (PubChem CID 130930877) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (2R,3S)-3-ethyl-2-propan-2-yl-2,3-dihydropyran-4-one.

Molecular Properties

Compound Name(2R,3S)-3-ethyl-2-propan-2-yl-2,3-dihydropyran-4-one
PubChem CID130930877
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(2R,3S)-3-ethyl-2-propan-2-yl-2,3-dihydropyran-4-one
SMILESCC[C@@H]1C(=O)C=CO[C@@H]1C(C)C
InChIInChI=1S/C10H16O2/c1-4-8-9(11)5-6-12-10(8)7(2)3/h5-8,10H,4H2,1-3H3/t8-,10-/m1/s1
InChIKeyBVEHPWWXZAGZGS-PSASIEDQSA-N
XLogP2.15
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 ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Propan-2-yl)-2,3-dihydro-4H-pyran-4-one
CID 12789094
2-ethyl-3,4-dihydro-2H-pyran-4-one
CID 13197910
2-cyclopropyl-3,4-dihydro-2H-pyran-4-one
CID 64105750
(2S)-2-Acetyl-2-methyl-2,3-dihydro-4H-pyran-4-one
CID 45085988
(3R)-3-methyl-2-pentyl-2,3-dihydropyran-4-one
CID 135080588
3-Ethoxy-2-propan-2-yl-2,3-dihydropyran-4-one
CID 338814
2-Ethyl-3,5-dimethyl-2,3-dihydropyran-4-one
CID 74320459
(2S,3S)-2,6-diethyl-3-methyl-2,3-dihydropyran-4-one
CID 131165590
2-Tert-butyl-2,3-dihydropyran-4-one
CID 11378618
4H-Pyran-4-one, 2-ethyl-2,3-dihydro-2-methyl-
CID 12308375
2,3,5-Trimethyl-2,3-dihydropyran-4-one
CID 21286956
2-(2-Methylpropyl)pyran-3,4-dione
CID 21397322

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-ethyl-2-propan-2-yl-2,3-dihydropyran-4-one?
The IUPAC name of (2R,3S)-3-ethyl-2-propan-2-yl-2,3-dihydropyran-4-one (CID 130930877) is (2R,3S)-3-ethyl-2-propan-2-yl-2,3-dihydropyran-4-one.
What is the SMILES notation for (2R,3S)-3-ethyl-2-propan-2-yl-2,3-dihydropyran-4-one?
The canonical SMILES for (2R,3S)-3-ethyl-2-propan-2-yl-2,3-dihydropyran-4-one is CC[C@@H]1C(=O)C=CO[C@@H]1C(C)C.
What is the InChIKey of (2R,3S)-3-ethyl-2-propan-2-yl-2,3-dihydropyran-4-one?
The InChIKey is BVEHPWWXZAGZGS-PSASIEDQSA-N. The full InChI is InChI=1S/C10H16O2/c1-4-8-9(11)5-6-12-10(8)7(2)3/h5-8,10H,4H2,1-3H3/t8-,10-/m1/s1.
What are the key properties of (2R,3S)-3-ethyl-2-propan-2-yl-2,3-dihydropyran-4-one?
(2R,3S)-3-ethyl-2-propan-2-yl-2,3-dihydropyran-4-one has a molecular weight of 168.24 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-ethyl-2-propan-2-yl-2,3-dihydropyran-4-one is sourced from PubChem (CID 130930877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).