(4S,5S)-5-(2-methoxyethoxymethoxymethyl)-3,4-dimethyloxolan-2-one

C11H20O5 — CID 146018104

IUPAC(4S,5S)-5-(2-methoxyethoxymethoxymethyl)-3,4-dimethyloxolan-2-one
SMILESCOCCOCOC[C@H]1OC(=O)C(C)[C@@H]1C
InChIInChI=1S/C11H20O5/c1-8-9(2)11(12)16-10(8)6-15-7-14-5-4-13-3/h8-10H,4-7H2,1-3H3/t8-,9?,10+/m0/s1
InChIKeyAYKVZRIFJDJGLQ-DJBFQZMMSA-N
MW232.28 g/mol
LogP0.82
Rot. Bonds7

About (4S,5S)-5-(2-methoxyethoxymethoxymethyl)-3,4-dimethyloxolan-2-one

(4S,5S)-5-(2-methoxyethoxymethoxymethyl)-3,4-dimethyloxolan-2-one (PubChem CID 146018104) has the molecular formula C11H20O5 and a molecular weight of 232.28 g/mol. Its IUPAC name is (4S,5S)-5-(2-methoxyethoxymethoxymethyl)-3,4-dimethyloxolan-2-one.

Molecular Properties

Compound Name(4S,5S)-5-(2-methoxyethoxymethoxymethyl)-3,4-dimethyloxolan-2-one
PubChem CID146018104
Molecular FormulaC11H20O5
Molecular Weight232.28 g/mol
Exact Mass232.13
IUPAC Name(4S,5S)-5-(2-methoxyethoxymethoxymethyl)-3,4-dimethyloxolan-2-one
SMILESCOCCOCOC[C@H]1OC(=O)C(C)[C@@H]1C
InChIInChI=1S/C11H20O5/c1-8-9(2)11(12)16-10(8)6-15-7-14-5-4-13-3/h8-10H,4-7H2,1-3H3/t8-,9?,10+/m0/s1
InChIKeyAYKVZRIFJDJGLQ-DJBFQZMMSA-N
XLogP0.82
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-5-(2-methoxyethoxymethoxymethyl)-3,4-dimethyloxolan-2-one?
The IUPAC name of (4S,5S)-5-(2-methoxyethoxymethoxymethyl)-3,4-dimethyloxolan-2-one (CID 146018104) is (4S,5S)-5-(2-methoxyethoxymethoxymethyl)-3,4-dimethyloxolan-2-one.
What is the SMILES notation for (4S,5S)-5-(2-methoxyethoxymethoxymethyl)-3,4-dimethyloxolan-2-one?
The canonical SMILES for (4S,5S)-5-(2-methoxyethoxymethoxymethyl)-3,4-dimethyloxolan-2-one is COCCOCOC[C@H]1OC(=O)C(C)[C@@H]1C.
What is the InChIKey of (4S,5S)-5-(2-methoxyethoxymethoxymethyl)-3,4-dimethyloxolan-2-one?
The InChIKey is AYKVZRIFJDJGLQ-DJBFQZMMSA-N. The full InChI is InChI=1S/C11H20O5/c1-8-9(2)11(12)16-10(8)6-15-7-14-5-4-13-3/h8-10H,4-7H2,1-3H3/t8-,9?,10+/m0/s1.
What are the key properties of (4S,5S)-5-(2-methoxyethoxymethoxymethyl)-3,4-dimethyloxolan-2-one?
(4S,5S)-5-(2-methoxyethoxymethoxymethyl)-3,4-dimethyloxolan-2-one has a molecular weight of 232.28 g/mol, XLogP of 0.82, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-5-(2-methoxyethoxymethoxymethyl)-3,4-dimethyloxolan-2-one is sourced from PubChem (CID 146018104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).