2-(4,6,8-trihydroxy-10-phenyldec-1-enyl)-2,3-dihydropyran-6-one

C21H28O5 — CID 74438088

IUPAC2-(4,6,8-trihydroxy-10-phenyldec-1-enyl)-2,3-dihydropyran-6-one
SMILESO=C1C=CCC(C=CCC(O)CC(O)CC(O)CCc2ccccc2)O1
InChIInChI=1S/C21H28O5/c22-17(8-4-9-20-10-5-11-21(25)26-20)14-19(24)15-18(23)13-12-16-6-2-1-3-7-16/h1-7,9,11,17-20,22-24H,8,10,12-15H2
InChIKeyYZNUQTVBWSAEBN-UHFFFAOYSA-N
MW360.45 g/mol
LogP2.30
Rot. Bonds10

About 2-(4,6,8-trihydroxy-10-phenyldec-1-enyl)-2,3-dihydropyran-6-one

2-(4,6,8-trihydroxy-10-phenyldec-1-enyl)-2,3-dihydropyran-6-one (PubChem CID 74438088) has the molecular formula C21H28O5 and a molecular weight of 360.45 g/mol. Its IUPAC name is 2-(4,6,8-trihydroxy-10-phenyldec-1-enyl)-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name2-(4,6,8-trihydroxy-10-phenyldec-1-enyl)-2,3-dihydropyran-6-one
PubChem CID74438088
Molecular FormulaC21H28O5
Molecular Weight360.45 g/mol
Exact Mass360.19
IUPAC Name2-(4,6,8-trihydroxy-10-phenyldec-1-enyl)-2,3-dihydropyran-6-one
SMILESO=C1C=CCC(C=CCC(O)CC(O)CC(O)CCc2ccccc2)O1
InChIInChI=1S/C21H28O5/c22-17(8-4-9-20-10-5-11-21(25)26-20)14-19(24)15-18(23)13-12-16-6-2-1-3-7-16/h1-7,9,11,17-20,22-24H,8,10,12-15H2
InChIKeyYZNUQTVBWSAEBN-UHFFFAOYSA-N
XLogP2.30
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(3R,5R,7R)-5,7-dihydroxy-10-[(2S)-6-oxo-2,3-dihydropyran-2-yl]-1-phenyldec-9-en-3-yl] acetate
CID 162991391
2-(4-hydroxy-6-oxo-8-phenylocta-1,7-dienyl)-2,3-dihydropyran-6-one
CID 162880407
(2R)-2-[(1E,4S,6R,8R,9E)-6,8-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxy-10-phenyldeca-1,9-dienyl]-2,3-dihydropyran-6-one
CID 134844585
2-(2-hydroxy-6-phenylhexyl)-2,3-dihydropyran-6-one
CID 74817578
(2R)-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one
CID 6440856
(2S)-2-[(Z)-2-phenylethenyl]-2,3-dihydropyran-6-one
CID 11229405
(2R)-2-[(3S)-3-hydroxyhept-1-enyl]-2,3-dihydropyran-6-one
CID 177482126
[(2S,3R,4R)-3,4-diacetyloxy-7-[(2S)-6-oxo-2,3-dihydropyran-2-yl]hept-6-en-2-yl] acetate
CID 162971676
(2R)-2-(2,4,6,8,10-pentahydroxypentacosyl)-2,3-dihydropyran-6-one
CID 53355124
1,5-diphenylpentan-3-ol;hydrochloride
CID 139805992
(3R,4S,5R)-2-(2-hydroxy-4-phenylbutyl)oxane-3,4,5-triol
CID 66823010
(2R,4S)-6-phenylhexane-2,4-diol
CID 101030295

Frequently Asked Questions

What is the IUPAC name of 2-(4,6,8-trihydroxy-10-phenyldec-1-enyl)-2,3-dihydropyran-6-one?
The IUPAC name of 2-(4,6,8-trihydroxy-10-phenyldec-1-enyl)-2,3-dihydropyran-6-one (CID 74438088) is 2-(4,6,8-trihydroxy-10-phenyldec-1-enyl)-2,3-dihydropyran-6-one.
What is the SMILES notation for 2-(4,6,8-trihydroxy-10-phenyldec-1-enyl)-2,3-dihydropyran-6-one?
The canonical SMILES for 2-(4,6,8-trihydroxy-10-phenyldec-1-enyl)-2,3-dihydropyran-6-one is O=C1C=CCC(C=CCC(O)CC(O)CC(O)CCc2ccccc2)O1.
What is the InChIKey of 2-(4,6,8-trihydroxy-10-phenyldec-1-enyl)-2,3-dihydropyran-6-one?
The InChIKey is YZNUQTVBWSAEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28O5/c22-17(8-4-9-20-10-5-11-21(25)26-20)14-19(24)15-18(23)13-12-16-6-2-1-3-7-16/h1-7,9,11,17-20,22-24H,8,10,12-15H2.
What are the key properties of 2-(4,6,8-trihydroxy-10-phenyldec-1-enyl)-2,3-dihydropyran-6-one?
2-(4,6,8-trihydroxy-10-phenyldec-1-enyl)-2,3-dihydropyran-6-one has a molecular weight of 360.45 g/mol, XLogP of 2.30, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6,8-trihydroxy-10-phenyldec-1-enyl)-2,3-dihydropyran-6-one is sourced from PubChem (CID 74438088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).