2-(diethoxymethyl)-2,5-diethoxyoxolane

C13H26O5 — CID 3033194

IUPAC2-(diethoxymethyl)-2,5-diethoxyoxolane
SMILESCCOC1CCC(OCC)(C(OCC)OCC)O1
InChIInChI=1S/C13H26O5/c1-5-14-11-9-10-13(18-11,17-8-4)12(15-6-2)16-7-3/h11-12H,5-10H2,1-4H3
InChIKeyWAIRCAVHNPYSNP-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.29
Rot. Bonds9

About 2-(diethoxymethyl)-2,5-diethoxyoxolane

2-(diethoxymethyl)-2,5-diethoxyoxolane (PubChem CID 3033194) has the molecular formula C13H26O5 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-(diethoxymethyl)-2,5-diethoxyoxolane.

Molecular Properties

Compound Name2-(diethoxymethyl)-2,5-diethoxyoxolane
PubChem CID3033194
Molecular FormulaC13H26O5
Molecular Weight262.35 g/mol
Exact Mass262.18
IUPAC Name2-(diethoxymethyl)-2,5-diethoxyoxolane
SMILESCCOC1CCC(OCC)(C(OCC)OCC)O1
InChIInChI=1S/C13H26O5/c1-5-14-11-9-10-13(18-11,17-8-4)12(15-6-2)16-7-3/h11-12H,5-10H2,1-4H3
InChIKeyWAIRCAVHNPYSNP-UHFFFAOYSA-N
XLogP2.29
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Valeraldehyde propyleneglycol acetal
CID 156273
1,3-Dioxolane, 2,2'-(1,3-propanediyl)bis-
CID 160856
Tetrahydro[(tetrahydrofuryl)methoxy]-2H-pyran
CID 97985
Methyl 2,3,4-tri-O-methylpentopyranoside
CID 298287
2-(Dimethoxymethyl)tetrahydro-2,5-dimethoxyfuran
CID 3033323
2-(2,5-Dimethoxyoxolan-2-yl)-1,3-dioxolane
CID 12770206
2,5-Dibutoxyoxane
CID 4378998
Tetrahydrofurfural diethyl acetal
CID 13227090
1,2,5-Tri-O-acetyl-3-deoxy-D-erythro-pentofuranose
CID 25120703
methyl 2,3,4-tri-O-methylarabinopyranoside
CID 89822476
(2R,3R,4R,5R)-2,3,4-trimethoxy-5-(methoxymethyl)oxolane
CID 89822483
2-[(1-Methoxyethoxy)methyl]tetrahydrofuran
CID 129743441

Frequently Asked Questions

What is the IUPAC name of 2-(diethoxymethyl)-2,5-diethoxyoxolane?
The IUPAC name of 2-(diethoxymethyl)-2,5-diethoxyoxolane (CID 3033194) is 2-(diethoxymethyl)-2,5-diethoxyoxolane.
What is the SMILES notation for 2-(diethoxymethyl)-2,5-diethoxyoxolane?
The canonical SMILES for 2-(diethoxymethyl)-2,5-diethoxyoxolane is CCOC1CCC(OCC)(C(OCC)OCC)O1.
What is the InChIKey of 2-(diethoxymethyl)-2,5-diethoxyoxolane?
The InChIKey is WAIRCAVHNPYSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O5/c1-5-14-11-9-10-13(18-11,17-8-4)12(15-6-2)16-7-3/h11-12H,5-10H2,1-4H3.
What are the key properties of 2-(diethoxymethyl)-2,5-diethoxyoxolane?
2-(diethoxymethyl)-2,5-diethoxyoxolane has a molecular weight of 262.35 g/mol, XLogP of 2.29, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethoxymethyl)-2,5-diethoxyoxolane is sourced from PubChem (CID 3033194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).