(3S,4R)-3-(3-hydroxypropyl)-4-(2-methoxyethoxymethoxy)oxolan-2-one

C11H20O6 — CID 18657607

IUPAC(3S,4R)-3-(3-hydroxypropyl)-4-(2-methoxyethoxymethoxy)oxolan-2-one
SMILESCOCCOCO[C@H]1COC(=O)[C@H]1CCCO
InChIInChI=1S/C11H20O6/c1-14-5-6-15-8-17-10-7-16-11(13)9(10)3-2-4-12/h9-10,12H,2-8H2,1H3/t9-,10-/m0/s1
InChIKeyCEXQBERYABEEFY-UWVGGRQHSA-N
MW248.27 g/mol
LogP-0.06
Rot. Bonds9

About (3S,4R)-3-(3-hydroxypropyl)-4-(2-methoxyethoxymethoxy)oxolan-2-one

(3S,4R)-3-(3-hydroxypropyl)-4-(2-methoxyethoxymethoxy)oxolan-2-one (PubChem CID 18657607) has the molecular formula C11H20O6 and a molecular weight of 248.27 g/mol. Its IUPAC name is (3S,4R)-3-(3-hydroxypropyl)-4-(2-methoxyethoxymethoxy)oxolan-2-one.

Molecular Properties

Compound Name(3S,4R)-3-(3-hydroxypropyl)-4-(2-methoxyethoxymethoxy)oxolan-2-one
PubChem CID18657607
Molecular FormulaC11H20O6
Molecular Weight248.27 g/mol
Exact Mass248.13
IUPAC Name(3S,4R)-3-(3-hydroxypropyl)-4-(2-methoxyethoxymethoxy)oxolan-2-one
SMILESCOCCOCO[C@H]1COC(=O)[C@H]1CCCO
InChIInChI=1S/C11H20O6/c1-14-5-6-15-8-17-10-7-16-11(13)9(10)3-2-4-12/h9-10,12H,2-8H2,1H3/t9-,10-/m0/s1
InChIKeyCEXQBERYABEEFY-UWVGGRQHSA-N
XLogP-0.06
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 (3S,4R)-3-(3-hydroxypropyl)-4-(2-methoxyethoxymethoxy)oxolan-2-one?
The IUPAC name of (3S,4R)-3-(3-hydroxypropyl)-4-(2-methoxyethoxymethoxy)oxolan-2-one (CID 18657607) is (3S,4R)-3-(3-hydroxypropyl)-4-(2-methoxyethoxymethoxy)oxolan-2-one.
What is the SMILES notation for (3S,4R)-3-(3-hydroxypropyl)-4-(2-methoxyethoxymethoxy)oxolan-2-one?
The canonical SMILES for (3S,4R)-3-(3-hydroxypropyl)-4-(2-methoxyethoxymethoxy)oxolan-2-one is COCCOCO[C@H]1COC(=O)[C@H]1CCCO.
What is the InChIKey of (3S,4R)-3-(3-hydroxypropyl)-4-(2-methoxyethoxymethoxy)oxolan-2-one?
The InChIKey is CEXQBERYABEEFY-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H20O6/c1-14-5-6-15-8-17-10-7-16-11(13)9(10)3-2-4-12/h9-10,12H,2-8H2,1H3/t9-,10-/m0/s1.
What are the key properties of (3S,4R)-3-(3-hydroxypropyl)-4-(2-methoxyethoxymethoxy)oxolan-2-one?
(3S,4R)-3-(3-hydroxypropyl)-4-(2-methoxyethoxymethoxy)oxolan-2-one has a molecular weight of 248.27 g/mol, XLogP of -0.06, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-(3-hydroxypropyl)-4-(2-methoxyethoxymethoxy)oxolan-2-one is sourced from PubChem (CID 18657607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).