(2R,5S)-5-(diethoxymethyl)-2,5-diethoxy-2H-furan

C13H24O5 — CID 124927393

IUPAC(2R,5S)-5-(diethoxymethyl)-2,5-diethoxy-2H-furan
SMILESCCOC(OCC)[C@]1(OCC)C=C[C@H](OCC)O1
InChIInChI=1S/C13H24O5/c1-5-14-11-9-10-13(18-11,17-8-4)12(15-6-2)16-7-3/h9-12H,5-8H2,1-4H3/t11-,13+/m1/s1
InChIKeyPZLDVZDPEQTIFJ-YPMHNXCESA-N
MW260.33 g/mol
LogP2.07
Rot. Bonds9

About (2R,5S)-5-(diethoxymethyl)-2,5-diethoxy-2H-furan

(2R,5S)-5-(diethoxymethyl)-2,5-diethoxy-2H-furan (PubChem CID 124927393) has the molecular formula C13H24O5 and a molecular weight of 260.33 g/mol. Its IUPAC name is (2R,5S)-5-(diethoxymethyl)-2,5-diethoxy-2H-furan.

Molecular Properties

Compound Name(2R,5S)-5-(diethoxymethyl)-2,5-diethoxy-2H-furan
PubChem CID124927393
Molecular FormulaC13H24O5
Molecular Weight260.33 g/mol
Exact Mass260.16
IUPAC Name(2R,5S)-5-(diethoxymethyl)-2,5-diethoxy-2H-furan
SMILESCCOC(OCC)[C@]1(OCC)C=C[C@H](OCC)O1
InChIInChI=1S/C13H24O5/c1-5-14-11-9-10-13(18-11,17-8-4)12(15-6-2)16-7-3/h9-12H,5-8H2,1-4H3/t11-,13+/m1/s1
InChIKeyPZLDVZDPEQTIFJ-YPMHNXCESA-N
XLogP2.07
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_misc_A(5)', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-ethoxy-2H-oxete
CID 175705413
(1R)-1-(2,5-dimethoxy-2H-furan-5-yl)ethanol
CID 2733897
(1R)-1-[(2S,5S)-2,5-dimethoxy-2H-furan-5-yl]ethanol
CID 7167551
(2S)-5-ethoxy-5-ethyl-2-methyl-2H-furan
CID 59974782
(3aS,4S,7S,7aS)-4,7-diethoxy-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxole
CID 54365077
(2S)-2-(diethoxymethyl)-2-methyloxirane
CID 101417400
(3R,6S)-6-ethoxy-3,6-dihydro-2H-pyran-3-ol
CID 132567869
1-(2,5-dimethoxy-2H-furan-5-yl)ethyl carbamate
CID 154138868
5-ethoxy-4,4-dimethylcyclohex-2-ene-1-carbaldehyde
CID 174388217
4-(2,2-diethoxyethoxy)oxane
CID 63627894
2,2,3,3,5-pentaethoxy-1,4-dioxane
CID 150418593
dichloromethoxyethane
CID 12643245

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-(diethoxymethyl)-2,5-diethoxy-2H-furan?
The IUPAC name of (2R,5S)-5-(diethoxymethyl)-2,5-diethoxy-2H-furan (CID 124927393) is (2R,5S)-5-(diethoxymethyl)-2,5-diethoxy-2H-furan.
What is the SMILES notation for (2R,5S)-5-(diethoxymethyl)-2,5-diethoxy-2H-furan?
The canonical SMILES for (2R,5S)-5-(diethoxymethyl)-2,5-diethoxy-2H-furan is CCOC(OCC)[C@]1(OCC)C=C[C@H](OCC)O1.
What is the InChIKey of (2R,5S)-5-(diethoxymethyl)-2,5-diethoxy-2H-furan?
The InChIKey is PZLDVZDPEQTIFJ-YPMHNXCESA-N. The full InChI is InChI=1S/C13H24O5/c1-5-14-11-9-10-13(18-11,17-8-4)12(15-6-2)16-7-3/h9-12H,5-8H2,1-4H3/t11-,13+/m1/s1.
What are the key properties of (2R,5S)-5-(diethoxymethyl)-2,5-diethoxy-2H-furan?
(2R,5S)-5-(diethoxymethyl)-2,5-diethoxy-2H-furan has a molecular weight of 260.33 g/mol, XLogP of 2.07, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-(diethoxymethyl)-2,5-diethoxy-2H-furan is sourced from PubChem (CID 124927393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).