[(2R,3S)-2-(methoxymethoxymethyl)-4-methyl-2,3-dihydrofuran-3-yl] butanoate

C12H20O5 — CID 134895801

IUPAC[(2R,3S)-2-(methoxymethoxymethyl)-4-methyl-2,3-dihydrofuran-3-yl] butanoate
SMILESCCCC(=O)O[C@H]1C(C)=CO[C@@H]1COCOC
InChIInChI=1S/C12H20O5/c1-4-5-11(13)17-12-9(2)6-16-10(12)7-15-8-14-3/h6,10,12H,4-5,7-8H2,1-3H3/t10-,12+/m1/s1
InChIKeyUMARVNKNDJNFLV-PWSUYJOCSA-N
MW244.29 g/mol
LogP1.62
Rot. Bonds7

About [(2R,3S)-2-(methoxymethoxymethyl)-4-methyl-2,3-dihydrofuran-3-yl] butanoate

[(2R,3S)-2-(methoxymethoxymethyl)-4-methyl-2,3-dihydrofuran-3-yl] butanoate (PubChem CID 134895801) has the molecular formula C12H20O5 and a molecular weight of 244.29 g/mol. Its IUPAC name is [(2R,3S)-2-(methoxymethoxymethyl)-4-methyl-2,3-dihydrofuran-3-yl] butanoate.

Molecular Properties

Compound Name[(2R,3S)-2-(methoxymethoxymethyl)-4-methyl-2,3-dihydrofuran-3-yl] butanoate
PubChem CID134895801
Molecular FormulaC12H20O5
Molecular Weight244.29 g/mol
Exact Mass244.13
IUPAC Name[(2R,3S)-2-(methoxymethoxymethyl)-4-methyl-2,3-dihydrofuran-3-yl] butanoate
SMILESCCCC(=O)O[C@H]1C(C)=CO[C@@H]1COCOC
InChIInChI=1S/C12H20O5/c1-4-5-11(13)17-12-9(2)6-16-10(12)7-15-8-14-3/h6,10,12H,4-5,7-8H2,1-3H3/t10-,12+/m1/s1
InChIKeyUMARVNKNDJNFLV-PWSUYJOCSA-N
XLogP1.62
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.62
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'}

Analyze [(2R,3S)-2-(methoxymethoxymethyl)-4-methyl-2,3-dihydrofuran-3-yl] butanoate 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

[(2S,4S)-2-(methoxymethoxymethyl)-5-methyl-3,4-dihydro-2H-pyran-4-yl] acetate
CID 101234062
[(3R,5R)-2-acetyloxy-5-ethyl-4-methylideneoxolan-3-yl] acetate
CID 69949936
2,4,4-Triacetyloxyhex-1-en-3-yl acetate
CID 88762613
[(2S,4S)-2-(2-methoxyethoxymethoxymethyl)-5-methyl-3,4-dihydro-2H-pyran-4-yl] acetate
CID 101234063
[(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylbuta-2,3-dienyl] acetate
CID 102254814

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-2-(methoxymethoxymethyl)-4-methyl-2,3-dihydrofuran-3-yl] butanoate?
The IUPAC name of [(2R,3S)-2-(methoxymethoxymethyl)-4-methyl-2,3-dihydrofuran-3-yl] butanoate (CID 134895801) is [(2R,3S)-2-(methoxymethoxymethyl)-4-methyl-2,3-dihydrofuran-3-yl] butanoate.
What is the SMILES notation for [(2R,3S)-2-(methoxymethoxymethyl)-4-methyl-2,3-dihydrofuran-3-yl] butanoate?
The canonical SMILES for [(2R,3S)-2-(methoxymethoxymethyl)-4-methyl-2,3-dihydrofuran-3-yl] butanoate is CCCC(=O)O[C@H]1C(C)=CO[C@@H]1COCOC.
What is the InChIKey of [(2R,3S)-2-(methoxymethoxymethyl)-4-methyl-2,3-dihydrofuran-3-yl] butanoate?
The InChIKey is UMARVNKNDJNFLV-PWSUYJOCSA-N. The full InChI is InChI=1S/C12H20O5/c1-4-5-11(13)17-12-9(2)6-16-10(12)7-15-8-14-3/h6,10,12H,4-5,7-8H2,1-3H3/t10-,12+/m1/s1.
What are the key properties of [(2R,3S)-2-(methoxymethoxymethyl)-4-methyl-2,3-dihydrofuran-3-yl] butanoate?
[(2R,3S)-2-(methoxymethoxymethyl)-4-methyl-2,3-dihydrofuran-3-yl] butanoate has a molecular weight of 244.29 g/mol, XLogP of 1.62, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-2-(methoxymethoxymethyl)-4-methyl-2,3-dihydrofuran-3-yl] butanoate is sourced from PubChem (CID 134895801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).