(2S)-2-(2-methoxyethoxymethoxymethyl)-2H-furan-5-one

C9H14O5 — CID 146018100

IUPAC(2S)-2-(2-methoxyethoxymethoxymethyl)-2H-furan-5-one
SMILESCOCCOCOC[C@@H]1C=CC(=O)O1
InChIInChI=1S/C9H14O5/c1-11-4-5-12-7-13-6-8-2-3-9(10)14-8/h2-3,8H,4-7H2,1H3/t8-/m0/s1
InChIKeyQEWCVVJWEZZKMR-QMMMGPOBSA-N
MW202.21 g/mol
LogP0.11
Rot. Bonds7

About (2S)-2-(2-methoxyethoxymethoxymethyl)-2H-furan-5-one

(2S)-2-(2-methoxyethoxymethoxymethyl)-2H-furan-5-one (PubChem CID 146018100) has the molecular formula C9H14O5 and a molecular weight of 202.21 g/mol. Its IUPAC name is (2S)-2-(2-methoxyethoxymethoxymethyl)-2H-furan-5-one.

Molecular Properties

Compound Name(2S)-2-(2-methoxyethoxymethoxymethyl)-2H-furan-5-one
PubChem CID146018100
Molecular FormulaC9H14O5
Molecular Weight202.21 g/mol
Exact Mass202.08
IUPAC Name(2S)-2-(2-methoxyethoxymethoxymethyl)-2H-furan-5-one
SMILESCOCCOCOC[C@@H]1C=CC(=O)O1
InChIInChI=1S/C9H14O5/c1-11-4-5-12-7-13-6-8-2-3-9(10)14-8/h2-3,8H,4-7H2,1H3/t8-/m0/s1
InChIKeyQEWCVVJWEZZKMR-QMMMGPOBSA-N
XLogP0.11
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 50.11
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 (2S)-2-(2-methoxyethoxymethoxymethyl)-2H-furan-5-one?
The IUPAC name of (2S)-2-(2-methoxyethoxymethoxymethyl)-2H-furan-5-one (CID 146018100) is (2S)-2-(2-methoxyethoxymethoxymethyl)-2H-furan-5-one.
What is the SMILES notation for (2S)-2-(2-methoxyethoxymethoxymethyl)-2H-furan-5-one?
The canonical SMILES for (2S)-2-(2-methoxyethoxymethoxymethyl)-2H-furan-5-one is COCCOCOC[C@@H]1C=CC(=O)O1.
What is the InChIKey of (2S)-2-(2-methoxyethoxymethoxymethyl)-2H-furan-5-one?
The InChIKey is QEWCVVJWEZZKMR-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H14O5/c1-11-4-5-12-7-13-6-8-2-3-9(10)14-8/h2-3,8H,4-7H2,1H3/t8-/m0/s1.
What are the key properties of (2S)-2-(2-methoxyethoxymethoxymethyl)-2H-furan-5-one?
(2S)-2-(2-methoxyethoxymethoxymethyl)-2H-furan-5-one has a molecular weight of 202.21 g/mol, XLogP of 0.11, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-methoxyethoxymethoxymethyl)-2H-furan-5-one is sourced from PubChem (CID 146018100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).