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

C13H24O5 — CID 12770201

IUPAC5-(diethoxymethyl)-2,5-diethoxy-2H-furan
SMILESCCOC1C=CC(OCC)(C(OCC)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
InChIKeyPZLDVZDPEQTIFJ-UHFFFAOYSA-N
MW260.33 g/mol
LogP2.07
Rot. Bonds9

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

5-(diethoxymethyl)-2,5-diethoxy-2H-furan (PubChem CID 12770201) has the molecular formula C13H24O5 and a molecular weight of 260.33 g/mol. Its IUPAC name is 5-(diethoxymethyl)-2,5-diethoxy-2H-furan.

Molecular Properties

Compound Name5-(diethoxymethyl)-2,5-diethoxy-2H-furan
PubChem CID12770201
Molecular FormulaC13H24O5
Molecular Weight260.33 g/mol
Exact Mass260.16
IUPAC Name5-(diethoxymethyl)-2,5-diethoxy-2H-furan
SMILESCCOC1C=CC(OCC)(C(OCC)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
InChIKeyPZLDVZDPEQTIFJ-UHFFFAOYSA-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

1,1-Diethoxy-2,6-nonadiene, (2E,6Z)-
CID 6364671
2-Hexenal diethyl acetal, (2E)-
CID 5365137
1,1-Diethoxyhex-2-ene
CID 93366
(E)-4-methyl-2-(pent-1-enyl)-1,3-dioxolane
CID 5370364
1,1-Diethoxynona-2,6-diene
CID 105533
1,1-Diethoxy-2,6-nonadiene, (2Z,6Z)-
CID 20838796
Furan, 2,5-dihydro-2,5-dimethoxy-2-methyl-
CID 90772
2,6-Nonadienal diethyl acetal
CID 6437114
(2,5-Dimethoxy-2,5-dihydrofuran-2-yl)methyl acetate
CID 12809174
(2,5-Dimethoxy-2,5-dihydrofuran-2-yl)methanol
CID 13011793
4-Methyl-2-(1-penten-1-yl)-1,3-dioxolane
CID 574707
2-(Dimethoxymethyl)-2,5-dihydro-2,5-dimethoxyfuran
CID 108407

Frequently Asked Questions

What is the IUPAC name of 5-(diethoxymethyl)-2,5-diethoxy-2H-furan?
The IUPAC name of 5-(diethoxymethyl)-2,5-diethoxy-2H-furan (CID 12770201) is 5-(diethoxymethyl)-2,5-diethoxy-2H-furan.
What is the SMILES notation for 5-(diethoxymethyl)-2,5-diethoxy-2H-furan?
The canonical SMILES for 5-(diethoxymethyl)-2,5-diethoxy-2H-furan is CCOC1C=CC(OCC)(C(OCC)OCC)O1.
What is the InChIKey of 5-(diethoxymethyl)-2,5-diethoxy-2H-furan?
The InChIKey is PZLDVZDPEQTIFJ-UHFFFAOYSA-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.
What are the key properties of 5-(diethoxymethyl)-2,5-diethoxy-2H-furan?
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 5-(diethoxymethyl)-2,5-diethoxy-2H-furan is sourced from PubChem (CID 12770201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).