(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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Related Compounds

1-Oxaspiro[5.5]undec-2-en-4-one
CID 12308376
(2R)-2-cyclohexyl-2,3-dihydropyran-4-one
CID 10219681
3,5-Dimethyl-2-pentyl-2,3-dihydropyran-4-one
CID 13081492
2-Cyclohexyl-2,3-dihydropyran-4-one
CID 11008530
2-Cyclohexyl-3,5-dimethyl-2,3-dihydropyran-4-one
CID 14090573
(2S,3S)-3,5-dimethyl-2-pentyl-2,3-dihydropyran-4-one
CID 101240152
(5R)-5-cyclohexyl-5-hydroxypent-1-en-3-one
CID 101722685
(3R)-3-methyl-2-pentyl-2,3-dihydropyran-4-one
CID 135080588
6-Fluoro-4a,5,6,7,8,8a-hexahydrochromen-4-one
CID 71650724
7-Fluoro-4a,5,6,7,8,8a-hexahydrochromen-4-one
CID 74010930
9,9-Difluoro-1-oxaspiro[5.5]undec-2-en-4-one
CID 164659294
(2S)-2-hexyl-2,3-dihydropyran-4-one
CID 11535681

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).