(4R,5R)-5-methyl-4-phenylmethoxy-5-propan-2-yloxolan-2-one

C15H20O3 — CID 101357836

IUPAC(4R,5R)-5-methyl-4-phenylmethoxy-5-propan-2-yloxolan-2-one
SMILESCC(C)[C@@]1(C)OC(=O)C[C@H]1OCc1ccccc1
InChIInChI=1S/C15H20O3/c1-11(2)15(3)13(9-14(16)18-15)17-10-12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-3H3/t13-,15-/m1/s1
InChIKeyUJPMKYKFFSMBFU-UKRRQHHQSA-N
MW248.32 g/mol
LogP2.93
Rot. Bonds4

About (4R,5R)-5-methyl-4-phenylmethoxy-5-propan-2-yloxolan-2-one

(4R,5R)-5-methyl-4-phenylmethoxy-5-propan-2-yloxolan-2-one (PubChem CID 101357836) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is (4R,5R)-5-methyl-4-phenylmethoxy-5-propan-2-yloxolan-2-one.

Molecular Properties

Compound Name(4R,5R)-5-methyl-4-phenylmethoxy-5-propan-2-yloxolan-2-one
PubChem CID101357836
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name(4R,5R)-5-methyl-4-phenylmethoxy-5-propan-2-yloxolan-2-one
SMILESCC(C)[C@@]1(C)OC(=O)C[C@H]1OCc1ccccc1
InChIInChI=1S/C15H20O3/c1-11(2)15(3)13(9-14(16)18-15)17-10-12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-3H3/t13-,15-/m1/s1
InChIKeyUJPMKYKFFSMBFU-UKRRQHHQSA-N
XLogP2.93
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4S,5R)-5-methyl-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-one
CID 153175222
(3R)-2,2-dimethyl-3-phenylmethoxycyclobutan-1-one
CID 97041960
(1S,5R,7R)-6,6-dimethyl-7-phenylmethoxy-2,9-dioxabicyclo[3.3.1]nonan-3-one
CID 11140353
(3R,4S,5R)-5-ethyl-4,5-dimethyl-3-phenylmethoxyoxolan-2-one
CID 118068857
(1S,3S,5S)-2,2-dimethyl-3-phenylmethoxy-8-oxabicyclo[3.2.1]octan-6-one
CID 11265435
(4R)-3,3-dimethyl-4-phenylmethoxyoxolane
CID 68901005
5-methyl-3-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-one
CID 172801831
(4S,5S)-1-benzyl-5-hydroxy-5-methyl-4-phenylmethoxypyrrolidin-2-one
CID 134918254
[(1R,2R)-2-methyl-2-phenylcyclopropyl]oxymethylbenzene
CID 100970284
ethane;4-phenylmethoxyoxolan-2-one
CID 143867154
[(1R,2R)-2-methoxy-2-methylcyclopentyl]oxymethylbenzene
CID 101022105
(2R,6R,7S)-2,6,7-tris(phenylmethoxy)-4-oxaspiro[2.4]heptan-5-one
CID 153209161

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-5-methyl-4-phenylmethoxy-5-propan-2-yloxolan-2-one?
The IUPAC name of (4R,5R)-5-methyl-4-phenylmethoxy-5-propan-2-yloxolan-2-one (CID 101357836) is (4R,5R)-5-methyl-4-phenylmethoxy-5-propan-2-yloxolan-2-one.
What is the SMILES notation for (4R,5R)-5-methyl-4-phenylmethoxy-5-propan-2-yloxolan-2-one?
The canonical SMILES for (4R,5R)-5-methyl-4-phenylmethoxy-5-propan-2-yloxolan-2-one is CC(C)[C@@]1(C)OC(=O)C[C@H]1OCc1ccccc1.
What is the InChIKey of (4R,5R)-5-methyl-4-phenylmethoxy-5-propan-2-yloxolan-2-one?
The InChIKey is UJPMKYKFFSMBFU-UKRRQHHQSA-N. The full InChI is InChI=1S/C15H20O3/c1-11(2)15(3)13(9-14(16)18-15)17-10-12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-3H3/t13-,15-/m1/s1.
What are the key properties of (4R,5R)-5-methyl-4-phenylmethoxy-5-propan-2-yloxolan-2-one?
(4R,5R)-5-methyl-4-phenylmethoxy-5-propan-2-yloxolan-2-one has a molecular weight of 248.32 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-5-methyl-4-phenylmethoxy-5-propan-2-yloxolan-2-one is sourced from PubChem (CID 101357836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).