(2S)-2-cyclohexyl-2,3-dihydropyran-4-one

C11H16O2 — CID 58886820

IUPAC(2S)-2-cyclohexyl-2,3-dihydropyran-4-one
SMILESO=C1C=CO[C@H](C2CCCCC2)C1
InChIInChI=1S/C11H16O2/c12-10-6-7-13-11(8-10)9-4-2-1-3-5-9/h6-7,9,11H,1-5,8H2/t11-/m0/s1
InChIKeyPBLCYUZJPYQMKF-NSHDSACASA-N
MW180.25 g/mol
LogP2.44
Rot. Bonds1

About (2S)-2-cyclohexyl-2,3-dihydropyran-4-one

(2S)-2-cyclohexyl-2,3-dihydropyran-4-one (PubChem CID 58886820) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is (2S)-2-cyclohexyl-2,3-dihydropyran-4-one.

Molecular Properties

Compound Name(2S)-2-cyclohexyl-2,3-dihydropyran-4-one
PubChem CID58886820
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name(2S)-2-cyclohexyl-2,3-dihydropyran-4-one
SMILESO=C1C=CO[C@H](C2CCCCC2)C1
InChIInChI=1S/C11H16O2/c12-10-6-7-13-11(8-10)9-4-2-1-3-5-9/h6-7,9,11H,1-5,8H2/t11-/m0/s1
InChIKeyPBLCYUZJPYQMKF-NSHDSACASA-N
XLogP2.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclohexyl-2,3-dihydropyran-4-one?
The IUPAC name of (2S)-2-cyclohexyl-2,3-dihydropyran-4-one (CID 58886820) is (2S)-2-cyclohexyl-2,3-dihydropyran-4-one.
What is the SMILES notation for (2S)-2-cyclohexyl-2,3-dihydropyran-4-one?
The canonical SMILES for (2S)-2-cyclohexyl-2,3-dihydropyran-4-one is O=C1C=CO[C@H](C2CCCCC2)C1.
What is the InChIKey of (2S)-2-cyclohexyl-2,3-dihydropyran-4-one?
The InChIKey is PBLCYUZJPYQMKF-NSHDSACASA-N. The full InChI is InChI=1S/C11H16O2/c12-10-6-7-13-11(8-10)9-4-2-1-3-5-9/h6-7,9,11H,1-5,8H2/t11-/m0/s1.
What are the key properties of (2S)-2-cyclohexyl-2,3-dihydropyran-4-one?
(2S)-2-cyclohexyl-2,3-dihydropyran-4-one has a molecular weight of 180.25 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclohexyl-2,3-dihydropyran-4-one is sourced from PubChem (CID 58886820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).