(3S,5S)-3-methyl-5-(phenylmethoxymethyl)oxolan-2-one

C13H16O3 — CID 10680435

IUPAC(3S,5S)-3-methyl-5-(phenylmethoxymethyl)oxolan-2-one
SMILESC[C@H]1C[C@@H](COCc2ccccc2)OC1=O
InChIInChI=1S/C13H16O3/c1-10-7-12(16-13(10)14)9-15-8-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3/t10-,12-/m0/s1
InChIKeyGBGPWVYIQOHUSE-JQWIXIFHSA-N
MW220.27 g/mol
LogP2.15
Rot. Bonds4

About (3S,5S)-3-methyl-5-(phenylmethoxymethyl)oxolan-2-one

(3S,5S)-3-methyl-5-(phenylmethoxymethyl)oxolan-2-one (PubChem CID 10680435) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is (3S,5S)-3-methyl-5-(phenylmethoxymethyl)oxolan-2-one.

Molecular Properties

Compound Name(3S,5S)-3-methyl-5-(phenylmethoxymethyl)oxolan-2-one
PubChem CID10680435
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name(3S,5S)-3-methyl-5-(phenylmethoxymethyl)oxolan-2-one
SMILESC[C@H]1C[C@@H](COCc2ccccc2)OC1=O
InChIInChI=1S/C13H16O3/c1-10-7-12(16-13(10)14)9-15-8-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3/t10-,12-/m0/s1
InChIKeyGBGPWVYIQOHUSE-JQWIXIFHSA-N
XLogP2.15
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,5S)-3-(methoxymethoxy)-5-(phenylmethoxymethyl)oxolan-2-one
CID 10858400
(6S)-3-hydroxy-6-(phenylmethoxymethyl)oxan-2-one
CID 67831333
(2R)-2-methyl-4-(phenylmethoxymethyl)cyclobutan-1-one
CID 130283628
(3R,4S)-3-methyl-4-(phenylmethoxymethyl)oxetan-2-one
CID 134988868
(3R,5S,6S)-3,5-dimethyl-6-[(2S)-1-phenylmethoxypropan-2-yl]oxan-2-one
CID 10989510
(3S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyloxolan-2-one
CID 71234875
3-methyl-6-(phenylmethoxymethyl)-1,4-dioxane-2,5-dione
CID 72570381
(3R,4S,5S)-3,4-dimethyl-5-(phenylmethoxymethyl)oxolan-2-one
CID 166718283
(6S)-3-methyl-6-(phenylmethoxymethyl)-1,4-dioxane-2,5-dione
CID 59819056
3-benzyl-5-(ethoxymethyl)oxolan-2-one
CID 12815720
(5S)-3-phenyl-5-(phenylmethoxymethyl)-1,3-oxazolidin-2-one
CID 124582958
(7S)-2,2-dimethyl-7-(phenylmethoxymethyl)-4,7,8,8a-tetrahydro-3aH-[1,3]dioxolo[4,5-d]oxepin-5-one
CID 44605808

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-3-methyl-5-(phenylmethoxymethyl)oxolan-2-one?
The IUPAC name of (3S,5S)-3-methyl-5-(phenylmethoxymethyl)oxolan-2-one (CID 10680435) is (3S,5S)-3-methyl-5-(phenylmethoxymethyl)oxolan-2-one.
What is the SMILES notation for (3S,5S)-3-methyl-5-(phenylmethoxymethyl)oxolan-2-one?
The canonical SMILES for (3S,5S)-3-methyl-5-(phenylmethoxymethyl)oxolan-2-one is C[C@H]1C[C@@H](COCc2ccccc2)OC1=O.
What is the InChIKey of (3S,5S)-3-methyl-5-(phenylmethoxymethyl)oxolan-2-one?
The InChIKey is GBGPWVYIQOHUSE-JQWIXIFHSA-N. The full InChI is InChI=1S/C13H16O3/c1-10-7-12(16-13(10)14)9-15-8-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3/t10-,12-/m0/s1.
What are the key properties of (3S,5S)-3-methyl-5-(phenylmethoxymethyl)oxolan-2-one?
(3S,5S)-3-methyl-5-(phenylmethoxymethyl)oxolan-2-one has a molecular weight of 220.27 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-3-methyl-5-(phenylmethoxymethyl)oxolan-2-one is sourced from PubChem (CID 10680435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).