(3R,4S,5S)-3,4-dimethyl-5-(phenylmethoxymethyl)oxolan-2-one

C14H18O3 — CID 166718283

IUPAC(3R,4S,5S)-3,4-dimethyl-5-(phenylmethoxymethyl)oxolan-2-one
SMILESC[C@@H]1[C@@H](COCc2ccccc2)OC(=O)[C@@H]1C
InChIInChI=1S/C14H18O3/c1-10-11(2)14(15)17-13(10)9-16-8-12-6-4-3-5-7-12/h3-7,10-11,13H,8-9H2,1-2H3/t10-,11+,13+/m0/s1
InChIKeyWDERBBZHOAKVAD-DMDPSCGWSA-N
MW234.29 g/mol
LogP2.40
Rot. Bonds4

About (3R,4S,5S)-3,4-dimethyl-5-(phenylmethoxymethyl)oxolan-2-one

(3R,4S,5S)-3,4-dimethyl-5-(phenylmethoxymethyl)oxolan-2-one (PubChem CID 166718283) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is (3R,4S,5S)-3,4-dimethyl-5-(phenylmethoxymethyl)oxolan-2-one.

Molecular Properties

Compound Name(3R,4S,5S)-3,4-dimethyl-5-(phenylmethoxymethyl)oxolan-2-one
PubChem CID166718283
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Name(3R,4S,5S)-3,4-dimethyl-5-(phenylmethoxymethyl)oxolan-2-one
SMILESC[C@@H]1[C@@H](COCc2ccccc2)OC(=O)[C@@H]1C
InChIInChI=1S/C14H18O3/c1-10-11(2)14(15)17-13(10)9-16-8-12-6-4-3-5-7-12/h3-7,10-11,13H,8-9H2,1-2H3/t10-,11+,13+/m0/s1
InChIKeyWDERBBZHOAKVAD-DMDPSCGWSA-N
XLogP2.40
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4S)-3-methyl-4-(phenylmethoxymethyl)oxetan-2-one
CID 134988868
(4S,5R)-4-methyl-3-methylidene-5-(phenylmethoxymethyl)oxolan-2-one
CID 11390632
3-methyl-6-(phenylmethoxymethyl)-1,4-dioxane-2,5-dione
CID 72570381
(6S)-3-methyl-6-(phenylmethoxymethyl)-1,4-dioxane-2,5-dione
CID 59819056
(3S,4S,5S)-3,4-dimethyl-5-(trityloxymethyl)oxolan-2-one
CID 11632443
(3S,4R,5R)-3,4-dimethyl-5-(trityloxymethyl)oxolan-2-one
CID 10949057
(3R,4S,5S)-3-benzyl-5-(phenylmethoxymethyl)-4-trimethylsilyloxolan-2-one
CID 12020935
(3R,4S,5S,6R)-3,5-dimethyl-4-phenylmethoxy-6-(2-phenylmethoxyethyl)oxan-2-one
CID 134866923
(3R,4S,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-one
CID 130757032
3-fluoro-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-one
CID 77175213
(5S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-one
CID 134832144
(3S,5S)-3-methyl-5-(phenylmethoxymethyl)oxolan-2-one
CID 10680435

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5S)-3,4-dimethyl-5-(phenylmethoxymethyl)oxolan-2-one?
The IUPAC name of (3R,4S,5S)-3,4-dimethyl-5-(phenylmethoxymethyl)oxolan-2-one (CID 166718283) is (3R,4S,5S)-3,4-dimethyl-5-(phenylmethoxymethyl)oxolan-2-one.
What is the SMILES notation for (3R,4S,5S)-3,4-dimethyl-5-(phenylmethoxymethyl)oxolan-2-one?
The canonical SMILES for (3R,4S,5S)-3,4-dimethyl-5-(phenylmethoxymethyl)oxolan-2-one is C[C@@H]1[C@@H](COCc2ccccc2)OC(=O)[C@@H]1C.
What is the InChIKey of (3R,4S,5S)-3,4-dimethyl-5-(phenylmethoxymethyl)oxolan-2-one?
The InChIKey is WDERBBZHOAKVAD-DMDPSCGWSA-N. The full InChI is InChI=1S/C14H18O3/c1-10-11(2)14(15)17-13(10)9-16-8-12-6-4-3-5-7-12/h3-7,10-11,13H,8-9H2,1-2H3/t10-,11+,13+/m0/s1.
What are the key properties of (3R,4S,5S)-3,4-dimethyl-5-(phenylmethoxymethyl)oxolan-2-one?
(3R,4S,5S)-3,4-dimethyl-5-(phenylmethoxymethyl)oxolan-2-one has a molecular weight of 234.29 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5S)-3,4-dimethyl-5-(phenylmethoxymethyl)oxolan-2-one is sourced from PubChem (CID 166718283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).