(2S,3S)-2-cyclohexyl-3-ethyl-2,3-dihydropyran-6-one

C13H20O2 — CID 135038776

IUPAC(2S,3S)-2-cyclohexyl-3-ethyl-2,3-dihydropyran-6-one
SMILESCC[C@H]1C=CC(=O)O[C@H]1C1CCCCC1
InChIInChI=1S/C13H20O2/c1-2-10-8-9-12(14)15-13(10)11-6-4-3-5-7-11/h8-11,13H,2-7H2,1H3/t10-,13+/m0/s1
InChIKeyUJLLTXWZBFUTMZ-GXFFZTMASA-N
MW208.30 g/mol
LogP3.07
Rot. Bonds2

About (2S,3S)-2-cyclohexyl-3-ethyl-2,3-dihydropyran-6-one

(2S,3S)-2-cyclohexyl-3-ethyl-2,3-dihydropyran-6-one (PubChem CID 135038776) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is (2S,3S)-2-cyclohexyl-3-ethyl-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name(2S,3S)-2-cyclohexyl-3-ethyl-2,3-dihydropyran-6-one
PubChem CID135038776
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name(2S,3S)-2-cyclohexyl-3-ethyl-2,3-dihydropyran-6-one
SMILESCC[C@H]1C=CC(=O)O[C@H]1C1CCCCC1
InChIInChI=1S/C13H20O2/c1-2-10-8-9-12(14)15-13(10)11-6-4-3-5-7-11/h8-11,13H,2-7H2,1H3/t10-,13+/m0/s1
InChIKeyUJLLTXWZBFUTMZ-GXFFZTMASA-N
XLogP3.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-cyclohexyl-3-ethyl-2,3-dihydropyran-6-one?
The IUPAC name of (2S,3S)-2-cyclohexyl-3-ethyl-2,3-dihydropyran-6-one (CID 135038776) is (2S,3S)-2-cyclohexyl-3-ethyl-2,3-dihydropyran-6-one.
What is the SMILES notation for (2S,3S)-2-cyclohexyl-3-ethyl-2,3-dihydropyran-6-one?
The canonical SMILES for (2S,3S)-2-cyclohexyl-3-ethyl-2,3-dihydropyran-6-one is CC[C@H]1C=CC(=O)O[C@H]1C1CCCCC1.
What is the InChIKey of (2S,3S)-2-cyclohexyl-3-ethyl-2,3-dihydropyran-6-one?
The InChIKey is UJLLTXWZBFUTMZ-GXFFZTMASA-N. The full InChI is InChI=1S/C13H20O2/c1-2-10-8-9-12(14)15-13(10)11-6-4-3-5-7-11/h8-11,13H,2-7H2,1H3/t10-,13+/m0/s1.
What are the key properties of (2S,3S)-2-cyclohexyl-3-ethyl-2,3-dihydropyran-6-one?
(2S,3S)-2-cyclohexyl-3-ethyl-2,3-dihydropyran-6-one has a molecular weight of 208.30 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-cyclohexyl-3-ethyl-2,3-dihydropyran-6-one is sourced from PubChem (CID 135038776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).