(2R)-2-pentadecyl-2,3-dihydropyran-6-one

C20H36O2 — CID 11645232

IUPAC(2R)-2-pentadecyl-2,3-dihydropyran-6-one
SMILESCCCCCCCCCCCCCCC[C@@H]1CC=CC(=O)O1
InChIInChI=1S/C20H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(21)22-19/h15,18-19H,2-14,16-17H2,1H3/t19-/m1/s1
InChIKeyXHFKKMXWXSWHOZ-LJQANCHMSA-N
MW308.51 g/mol
LogP6.34
Rot. Bonds14

About (2R)-2-pentadecyl-2,3-dihydropyran-6-one

(2R)-2-pentadecyl-2,3-dihydropyran-6-one (PubChem CID 11645232) has the molecular formula C20H36O2 and a molecular weight of 308.51 g/mol. Its IUPAC name is (2R)-2-pentadecyl-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name(2R)-2-pentadecyl-2,3-dihydropyran-6-one
PubChem CID11645232
Molecular FormulaC20H36O2
Molecular Weight308.51 g/mol
Exact Mass308.27
IUPAC Name(2R)-2-pentadecyl-2,3-dihydropyran-6-one
SMILESCCCCCCCCCCCCCCC[C@@H]1CC=CC(=O)O1
InChIInChI=1S/C20H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(21)22-19/h15,18-19H,2-14,16-17H2,1H3/t19-/m1/s1
InChIKeyXHFKKMXWXSWHOZ-LJQANCHMSA-N
XLogP6.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.51
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-Nonenoic acid gamma-lactone
CID 89559
Massoia Lactone
CID 642793
5-HYDROXY-2-DODECENOIC ACID delta-LACTONE
CID 61834
5-hexylfuran-2(5H)-one
CID 102833
(+-)-Massoia lactone
CID 39914
Oxacyclohexadecenone
CID 12410118
Caprylyl Eicosenoate
CID 76962468
6-propyl-5,6-dihydro-2H-pyran-2-one
CID 13949543
Ncgc00385962-01_C16H24O3_
CID 75528938
[(2S,3S)-2-[(Z,3R)-3-acetyloxyhept-1-enyl]-6-oxo-2,3-dihydropyran-3-yl] acetate
CID 10403120
5-Octyl-2(5H)-furanone
CID 86623
Boronolide
CID 10474298

Frequently Asked Questions

What is the IUPAC name of (2R)-2-pentadecyl-2,3-dihydropyran-6-one?
The IUPAC name of (2R)-2-pentadecyl-2,3-dihydropyran-6-one (CID 11645232) is (2R)-2-pentadecyl-2,3-dihydropyran-6-one.
What is the SMILES notation for (2R)-2-pentadecyl-2,3-dihydropyran-6-one?
The canonical SMILES for (2R)-2-pentadecyl-2,3-dihydropyran-6-one is CCCCCCCCCCCCCCC[C@@H]1CC=CC(=O)O1.
What is the InChIKey of (2R)-2-pentadecyl-2,3-dihydropyran-6-one?
The InChIKey is XHFKKMXWXSWHOZ-LJQANCHMSA-N. The full InChI is InChI=1S/C20H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(21)22-19/h15,18-19H,2-14,16-17H2,1H3/t19-/m1/s1.
What are the key properties of (2R)-2-pentadecyl-2,3-dihydropyran-6-one?
(2R)-2-pentadecyl-2,3-dihydropyran-6-one has a molecular weight of 308.51 g/mol, XLogP of 6.34, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-pentadecyl-2,3-dihydropyran-6-one is sourced from PubChem (CID 11645232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).