(4S)-4-(2-methoxyethoxymethoxymethyl)oxolan-2-one

C9H16O5 — CID 10878256

IUPAC(4S)-4-(2-methoxyethoxymethoxymethyl)oxolan-2-one
SMILESCOCCOCOC[C@H]1COC(=O)C1
InChIInChI=1S/C9H16O5/c1-11-2-3-12-7-13-5-8-4-9(10)14-6-8/h8H,2-7H2,1H3/t8-/m0/s1
InChIKeyGBQCQISXATWPIQ-QMMMGPOBSA-N
MW204.22 g/mol
LogP0.19
Rot. Bonds7

About (4S)-4-(2-methoxyethoxymethoxymethyl)oxolan-2-one

(4S)-4-(2-methoxyethoxymethoxymethyl)oxolan-2-one (PubChem CID 10878256) has the molecular formula C9H16O5 and a molecular weight of 204.22 g/mol. Its IUPAC name is (4S)-4-(2-methoxyethoxymethoxymethyl)oxolan-2-one.

Molecular Properties

Compound Name(4S)-4-(2-methoxyethoxymethoxymethyl)oxolan-2-one
PubChem CID10878256
Molecular FormulaC9H16O5
Molecular Weight204.22 g/mol
Exact Mass204.10
IUPAC Name(4S)-4-(2-methoxyethoxymethoxymethyl)oxolan-2-one
SMILESCOCCOCOC[C@H]1COC(=O)C1
InChIInChI=1S/C9H16O5/c1-11-2-3-12-7-13-5-8-4-9(10)14-6-8/h8H,2-7H2,1H3/t8-/m0/s1
InChIKeyGBQCQISXATWPIQ-QMMMGPOBSA-N
XLogP0.19
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 50.19
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)-4-(2-methoxyethoxymethoxymethyl)oxolan-2-one?
The IUPAC name of (4S)-4-(2-methoxyethoxymethoxymethyl)oxolan-2-one (CID 10878256) is (4S)-4-(2-methoxyethoxymethoxymethyl)oxolan-2-one.
What is the SMILES notation for (4S)-4-(2-methoxyethoxymethoxymethyl)oxolan-2-one?
The canonical SMILES for (4S)-4-(2-methoxyethoxymethoxymethyl)oxolan-2-one is COCCOCOC[C@H]1COC(=O)C1.
What is the InChIKey of (4S)-4-(2-methoxyethoxymethoxymethyl)oxolan-2-one?
The InChIKey is GBQCQISXATWPIQ-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H16O5/c1-11-2-3-12-7-13-5-8-4-9(10)14-6-8/h8H,2-7H2,1H3/t8-/m0/s1.
What are the key properties of (4S)-4-(2-methoxyethoxymethoxymethyl)oxolan-2-one?
(4S)-4-(2-methoxyethoxymethoxymethyl)oxolan-2-one has a molecular weight of 204.22 g/mol, XLogP of 0.19, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(2-methoxyethoxymethoxymethyl)oxolan-2-one is sourced from PubChem (CID 10878256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).