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

C14H18O5 — CID 10858400

IUPAC(3S,5S)-3-(methoxymethoxy)-5-(phenylmethoxymethyl)oxolan-2-one
SMILESCOCO[C@H]1C[C@@H](COCc2ccccc2)OC1=O
InChIInChI=1S/C14H18O5/c1-16-10-18-13-7-12(19-14(13)15)9-17-8-11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3/t12-,13-/m0/s1
InChIKeySLVIRYAMALYCAS-STQMWFEESA-N
MW266.29 g/mol
LogP1.51
Rot. Bonds7

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

(3S,5S)-3-(methoxymethoxy)-5-(phenylmethoxymethyl)oxolan-2-one (PubChem CID 10858400) has the molecular formula C14H18O5 and a molecular weight of 266.29 g/mol. Its IUPAC name is (3S,5S)-3-(methoxymethoxy)-5-(phenylmethoxymethyl)oxolan-2-one.

Molecular Properties

Compound Name(3S,5S)-3-(methoxymethoxy)-5-(phenylmethoxymethyl)oxolan-2-one
PubChem CID10858400
Molecular FormulaC14H18O5
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Name(3S,5S)-3-(methoxymethoxy)-5-(phenylmethoxymethyl)oxolan-2-one
SMILESCOCO[C@H]1C[C@@H](COCc2ccccc2)OC1=O
InChIInChI=1S/C14H18O5/c1-16-10-18-13-7-12(19-14(13)15)9-17-8-11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3/t12-,13-/m0/s1
InChIKeySLVIRYAMALYCAS-STQMWFEESA-N
XLogP1.51
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (3S,5S)-3-(methoxymethoxy)-5-(phenylmethoxymethyl)oxolan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S,5S)-3-methyl-5-(phenylmethoxymethyl)oxolan-2-one
CID 10680435
3-phenylmethoxy-5-undecyloxolan-2-one
CID 140613316
(6S)-3-hydroxy-6-(phenylmethoxymethyl)oxan-2-one
CID 67831333
3,3-dimethoxy-5-(phenylmethoxymethyl)oxolan-2-one
CID 10989192
(3S,5S)-2-methoxy-3-methyl-5-(phenylmethoxymethyl)oxolane
CID 71070891
(4R,6S)-2-methyl-4-phenylmethoxy-6-(phenylmethoxymethyl)oxane
CID 71106611
3-benzyl-5-(ethoxymethyl)oxolan-2-one
CID 12815720
(5S)-3-phenyl-5-(phenylmethoxymethyl)-1,3-oxazolidin-2-one
CID 124582958
(2R,3R,4R,6R)-2-(2-methoxyethoxy)-6-(phenylmethoxymethyl)oxane-3,4-diol
CID 101172024
(7S)-2,2-dimethyl-7-(phenylmethoxymethyl)-4,7,8,8a-tetrahydro-3aH-[1,3]dioxolo[4,5-d]oxepin-5-one
CID 44605808
(2S,3S,4S,6S)-2-methoxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 11037694
(4S,6R)-4-ethenyl-6-(phenylmethoxymethyl)oxan-2-one
CID 14667665

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-3-(methoxymethoxy)-5-(phenylmethoxymethyl)oxolan-2-one?
The IUPAC name of (3S,5S)-3-(methoxymethoxy)-5-(phenylmethoxymethyl)oxolan-2-one (CID 10858400) is (3S,5S)-3-(methoxymethoxy)-5-(phenylmethoxymethyl)oxolan-2-one.
What is the SMILES notation for (3S,5S)-3-(methoxymethoxy)-5-(phenylmethoxymethyl)oxolan-2-one?
The canonical SMILES for (3S,5S)-3-(methoxymethoxy)-5-(phenylmethoxymethyl)oxolan-2-one is COCO[C@H]1C[C@@H](COCc2ccccc2)OC1=O.
What is the InChIKey of (3S,5S)-3-(methoxymethoxy)-5-(phenylmethoxymethyl)oxolan-2-one?
The InChIKey is SLVIRYAMALYCAS-STQMWFEESA-N. The full InChI is InChI=1S/C14H18O5/c1-16-10-18-13-7-12(19-14(13)15)9-17-8-11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3/t12-,13-/m0/s1.
What are the key properties of (3S,5S)-3-(methoxymethoxy)-5-(phenylmethoxymethyl)oxolan-2-one?
(3S,5S)-3-(methoxymethoxy)-5-(phenylmethoxymethyl)oxolan-2-one has a molecular weight of 266.29 g/mol, XLogP of 1.51, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-3-(methoxymethoxy)-5-(phenylmethoxymethyl)oxolan-2-one is sourced from PubChem (CID 10858400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).