(2S,5R)-2,4-diethyl-2,4-diphenyl-5-propan-2-yloxyoxolan-3-one

C23H28O3 — CID 162399519

IUPAC(2S,5R)-2,4-diethyl-2,4-diphenyl-5-propan-2-yloxyoxolan-3-one
SMILESCCC1(c2ccccc2)C(=O)[C@](CC)(c2ccccc2)O[C@H]1OC(C)C
InChIInChI=1S/C23H28O3/c1-5-22(18-13-9-7-10-14-18)20(24)23(6-2,19-15-11-8-12-16-19)26-21(22)25-17(3)4/h7-17,21H,5-6H2,1-4H3/t21-,22?,23+/m1/s1
InChIKeyYNBCGAHHQGRNIW-CTDXOEGXSA-N
MW352.47 g/mol
LogP4.99
Rot. Bonds6

About (2S,5R)-2,4-diethyl-2,4-diphenyl-5-propan-2-yloxyoxolan-3-one

(2S,5R)-2,4-diethyl-2,4-diphenyl-5-propan-2-yloxyoxolan-3-one (PubChem CID 162399519) has the molecular formula C23H28O3 and a molecular weight of 352.47 g/mol. Its IUPAC name is (2S,5R)-2,4-diethyl-2,4-diphenyl-5-propan-2-yloxyoxolan-3-one.

Molecular Properties

Compound Name(2S,5R)-2,4-diethyl-2,4-diphenyl-5-propan-2-yloxyoxolan-3-one
PubChem CID162399519
Molecular FormulaC23H28O3
Molecular Weight352.47 g/mol
Exact Mass352.20
IUPAC Name(2S,5R)-2,4-diethyl-2,4-diphenyl-5-propan-2-yloxyoxolan-3-one
SMILESCCC1(c2ccccc2)C(=O)[C@](CC)(c2ccccc2)O[C@H]1OC(C)C
InChIInChI=1S/C23H28O3/c1-5-22(18-13-9-7-10-14-18)20(24)23(6-2,19-15-11-8-12-16-19)26-21(22)25-17(3)4/h7-17,21H,5-6H2,1-4H3/t21-,22?,23+/m1/s1
InChIKeyYNBCGAHHQGRNIW-CTDXOEGXSA-N
XLogP4.99
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.47
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-Dimethyl-5-phenyloxolan-3-one
CID 568892
2-methoxy-6-methyl-6-(4-phenylphenyl)-2H-pyran-5-one
CID 5271556
2-Methoxy-3-(2-methylbut-3-en-2-yl)-6-phenyloxan-4-one
CID 168285589
Methanone, phenyl(4-phenyl-1,3-dioxolan-4-yl)-
CID 3089168
ethyl (2R,4R,5R)-4-ethyl-2,5-bis(4-fluorophenyl)-1,3-dioxolane-4-carboxylate
CID 24806513
ethyl (2R,4S,5R)-4-ethyl-2,5-bis(4-fluorophenyl)-1,3-dioxolane-4-carboxylate
CID 135067185
cis-2-Acetyl-2,3-diphenyloxirane
CID 296677
1-Oxaspiro[4.5]decan-4-one, 2-phenyl-
CID 2833962
(2S,5S)-2-tert-butyl-5-[(1S)-3-oxo-1-phenylbutyl]-5-phenyl-1,3-dioxolan-4-one
CID 12024391
trans-2,2-Dimethyl-4-p-methylbenzoyl-5-phenyl-1,3-dioxolane
CID 129705536
(2S,5S)-2-(tert-butyl)-5-phenyl-1,3-dioxolan-4-one
CID 10822800
2,2-Dimethyl-5,5-diphenyltetrahydrofuran-3-one
CID 12282969

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-2,4-diethyl-2,4-diphenyl-5-propan-2-yloxyoxolan-3-one?
The IUPAC name of (2S,5R)-2,4-diethyl-2,4-diphenyl-5-propan-2-yloxyoxolan-3-one (CID 162399519) is (2S,5R)-2,4-diethyl-2,4-diphenyl-5-propan-2-yloxyoxolan-3-one.
What is the SMILES notation for (2S,5R)-2,4-diethyl-2,4-diphenyl-5-propan-2-yloxyoxolan-3-one?
The canonical SMILES for (2S,5R)-2,4-diethyl-2,4-diphenyl-5-propan-2-yloxyoxolan-3-one is CCC1(c2ccccc2)C(=O)[C@](CC)(c2ccccc2)O[C@H]1OC(C)C.
What is the InChIKey of (2S,5R)-2,4-diethyl-2,4-diphenyl-5-propan-2-yloxyoxolan-3-one?
The InChIKey is YNBCGAHHQGRNIW-CTDXOEGXSA-N. The full InChI is InChI=1S/C23H28O3/c1-5-22(18-13-9-7-10-14-18)20(24)23(6-2,19-15-11-8-12-16-19)26-21(22)25-17(3)4/h7-17,21H,5-6H2,1-4H3/t21-,22?,23+/m1/s1.
What are the key properties of (2S,5R)-2,4-diethyl-2,4-diphenyl-5-propan-2-yloxyoxolan-3-one?
(2S,5R)-2,4-diethyl-2,4-diphenyl-5-propan-2-yloxyoxolan-3-one has a molecular weight of 352.47 g/mol, XLogP of 4.99, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-2,4-diethyl-2,4-diphenyl-5-propan-2-yloxyoxolan-3-one is sourced from PubChem (CID 162399519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).