(2S)-2-[(2R)-2-(methoxymethoxy)-6-phenylhexyl]-2,3-dihydropyran-6-one

C19H26O4 — CID 11461301

IUPAC(2S)-2-[(2R)-2-(methoxymethoxy)-6-phenylhexyl]-2,3-dihydropyran-6-one
SMILESCOCO[C@H](CCCCc1ccccc1)C[C@@H]1CC=CC(=O)O1
InChIInChI=1S/C19H26O4/c1-21-15-22-17(14-18-12-7-13-19(20)23-18)11-6-5-10-16-8-3-2-4-9-16/h2-4,7-9,13,17-18H,5-6,10-12,14-15H2,1H3/t17-,18+/m1/s1
InChIKeyZXLTYMUODKJIFU-MSOLQXFVSA-N
MW318.41 g/mol
LogP3.65
Rot. Bonds10

About (2S)-2-[(2R)-2-(methoxymethoxy)-6-phenylhexyl]-2,3-dihydropyran-6-one

(2S)-2-[(2R)-2-(methoxymethoxy)-6-phenylhexyl]-2,3-dihydropyran-6-one (PubChem CID 11461301) has the molecular formula C19H26O4 and a molecular weight of 318.41 g/mol. Its IUPAC name is (2S)-2-[(2R)-2-(methoxymethoxy)-6-phenylhexyl]-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name(2S)-2-[(2R)-2-(methoxymethoxy)-6-phenylhexyl]-2,3-dihydropyran-6-one
PubChem CID11461301
Molecular FormulaC19H26O4
Molecular Weight318.41 g/mol
Exact Mass318.18
IUPAC Name(2S)-2-[(2R)-2-(methoxymethoxy)-6-phenylhexyl]-2,3-dihydropyran-6-one
SMILESCOCO[C@H](CCCCc1ccccc1)C[C@@H]1CC=CC(=O)O1
InChIInChI=1S/C19H26O4/c1-21-15-22-17(14-18-12-7-13-19(20)23-18)11-6-5-10-16-8-3-2-4-9-16/h2-4,7-9,13,17-18H,5-6,10-12,14-15H2,1H3/t17-,18+/m1/s1
InChIKeyZXLTYMUODKJIFU-MSOLQXFVSA-N
XLogP3.65
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(2-hydroxy-6-phenylhexyl)-2,3-dihydropyran-6-one
CID 74817578
(2S)-2-[(4R)-4-methoxynonyl]-2,3-dihydropyran-6-one
CID 52953296
(2S)-2-[(2R)-2-[3-(3,4-dihydroxyphenyl)propoxy]propyl]-2,3-dihydropyran-6-one
CID 134970390
[(E,2S)-1-[(2R)-6-oxo-2,3-dihydropyran-2-yl]-4-phenylbut-3-en-2-yl] acetate
CID 11808267
(2R)-4-methyl-2-[(2R)-2-phenylmethoxypentyl]-2,3-dihydropyran-6-one
CID 46844681
(2R)-2-(2,4,6,8,10-pentahydroxypentacosyl)-2,3-dihydropyran-6-one
CID 53355124
3-(methoxymethoxy)hex-5-ynylbenzene
CID 139249095
[(3R,5R,7R)-5,7-dihydroxy-10-[(2S)-6-oxo-2,3-dihydropyran-2-yl]-1-phenyldec-9-en-3-yl] acetate
CID 162991391
13-phenyltridecan-6-yl hydrogen carbonate
CID 67181193
1-phenylpentadecan-7-yl hydrogen carbonate
CID 67178943
2-(4,6,8-trihydroxy-10-phenyldec-1-enyl)-2,3-dihydropyran-6-one
CID 74438088
(2S)-2-pentyl-2,3-dihydropyran-6-one;(2R)-2-pentyl-2,3-dihydropyran-6-one
CID 91936907

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2R)-2-(methoxymethoxy)-6-phenylhexyl]-2,3-dihydropyran-6-one?
The IUPAC name of (2S)-2-[(2R)-2-(methoxymethoxy)-6-phenylhexyl]-2,3-dihydropyran-6-one (CID 11461301) is (2S)-2-[(2R)-2-(methoxymethoxy)-6-phenylhexyl]-2,3-dihydropyran-6-one.
What is the SMILES notation for (2S)-2-[(2R)-2-(methoxymethoxy)-6-phenylhexyl]-2,3-dihydropyran-6-one?
The canonical SMILES for (2S)-2-[(2R)-2-(methoxymethoxy)-6-phenylhexyl]-2,3-dihydropyran-6-one is COCO[C@H](CCCCc1ccccc1)C[C@@H]1CC=CC(=O)O1.
What is the InChIKey of (2S)-2-[(2R)-2-(methoxymethoxy)-6-phenylhexyl]-2,3-dihydropyran-6-one?
The InChIKey is ZXLTYMUODKJIFU-MSOLQXFVSA-N. The full InChI is InChI=1S/C19H26O4/c1-21-15-22-17(14-18-12-7-13-19(20)23-18)11-6-5-10-16-8-3-2-4-9-16/h2-4,7-9,13,17-18H,5-6,10-12,14-15H2,1H3/t17-,18+/m1/s1.
What are the key properties of (2S)-2-[(2R)-2-(methoxymethoxy)-6-phenylhexyl]-2,3-dihydropyran-6-one?
(2S)-2-[(2R)-2-(methoxymethoxy)-6-phenylhexyl]-2,3-dihydropyran-6-one has a molecular weight of 318.41 g/mol, XLogP of 3.65, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2R)-2-(methoxymethoxy)-6-phenylhexyl]-2,3-dihydropyran-6-one is sourced from PubChem (CID 11461301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).