(3S,5S)-3,5-diethyl-3-hydroxy-5-phenyloxolan-2-one

C14H18O3 — CID 100946476

IUPAC(3S,5S)-3,5-diethyl-3-hydroxy-5-phenyloxolan-2-one
SMILESCC[C@]1(O)C[C@@](CC)(c2ccccc2)OC1=O
InChIInChI=1S/C14H18O3/c1-3-13(16)10-14(4-2,17-12(13)15)11-8-6-5-7-9-11/h5-9,16H,3-4,10H2,1-2H3/t13-,14-/m0/s1
InChIKeyXJOGKKWDEIBSOF-KBPBESRZSA-N
MW234.30 g/mol
LogP2.38
Rot. Bonds3

About (3S,5S)-3,5-diethyl-3-hydroxy-5-phenyloxolan-2-one

(3S,5S)-3,5-diethyl-3-hydroxy-5-phenyloxolan-2-one (PubChem CID 100946476) has the molecular formula C14H18O3 and a molecular weight of 234.30 g/mol. Its IUPAC name is (3S,5S)-3,5-diethyl-3-hydroxy-5-phenyloxolan-2-one.

Molecular Properties

Compound Name(3S,5S)-3,5-diethyl-3-hydroxy-5-phenyloxolan-2-one
PubChem CID100946476
Molecular FormulaC14H18O3
Molecular Weight234.30 g/mol
Exact Mass234.13
IUPAC Name(3S,5S)-3,5-diethyl-3-hydroxy-5-phenyloxolan-2-one
SMILESCC[C@]1(O)C[C@@](CC)(c2ccccc2)OC1=O
InChIInChI=1S/C14H18O3/c1-3-13(16)10-14(4-2,17-12(13)15)11-8-6-5-7-9-11/h5-9,16H,3-4,10H2,1-2H3/t13-,14-/m0/s1
InChIKeyXJOGKKWDEIBSOF-KBPBESRZSA-N
XLogP2.38
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-dioxane;bis(5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione)
CID 139042175
tetrakis(1,4-dioxane);tetrakis(5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione)
CID 139042176
(4-ethyl-2,4-diphenyl-1,3-dioxolan-2-yl)methanol
CID 66787940
4-hydroxy-2-pentyl-2-phenyl-3H-pyran-6-one
CID 54687158
5,5-diethyl-3,3-diphenyloxolane-2,4-dione
CID 17399151
[(2R,3R)-2-ethyl-3-methyl-3-phenyloxiran-2-yl]methanol
CID 101403804
(4S,5S)-1,3-diethyl-4,5-dihydroxy-4,5-diphenylimidazolidin-2-one
CID 789461
2-ethyl-2-phenylmorpholine
CID 21410904
(5S)-5-ethyl-5-hydroxy-3-methyl-2-phenylcyclopent-2-en-1-one
CID 132501242
4-hydroxy-2-phenyl-2-(2-phenylethyl)-3H-pyran-6-one
CID 54682301
2-heptyl-2-phenyl-3H-chromen-4-one
CID 174261212
4-ethyl-4-phenylcyclohexan-1-one
CID 71029419

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-3,5-diethyl-3-hydroxy-5-phenyloxolan-2-one?
The IUPAC name of (3S,5S)-3,5-diethyl-3-hydroxy-5-phenyloxolan-2-one (CID 100946476) is (3S,5S)-3,5-diethyl-3-hydroxy-5-phenyloxolan-2-one.
What is the SMILES notation for (3S,5S)-3,5-diethyl-3-hydroxy-5-phenyloxolan-2-one?
The canonical SMILES for (3S,5S)-3,5-diethyl-3-hydroxy-5-phenyloxolan-2-one is CC[C@]1(O)C[C@@](CC)(c2ccccc2)OC1=O.
What is the InChIKey of (3S,5S)-3,5-diethyl-3-hydroxy-5-phenyloxolan-2-one?
The InChIKey is XJOGKKWDEIBSOF-KBPBESRZSA-N. The full InChI is InChI=1S/C14H18O3/c1-3-13(16)10-14(4-2,17-12(13)15)11-8-6-5-7-9-11/h5-9,16H,3-4,10H2,1-2H3/t13-,14-/m0/s1.
What are the key properties of (3S,5S)-3,5-diethyl-3-hydroxy-5-phenyloxolan-2-one?
(3S,5S)-3,5-diethyl-3-hydroxy-5-phenyloxolan-2-one has a molecular weight of 234.30 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-3,5-diethyl-3-hydroxy-5-phenyloxolan-2-one is sourced from PubChem (CID 100946476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).