4,5-diethoxy-2-(ethoxymethyl)oxane

C12H24O4 — CID 20981483

IUPAC4,5-diethoxy-2-(ethoxymethyl)oxane
SMILESCCOCC1CC(OCC)C(OCC)CO1
InChIInChI=1S/C12H24O4/c1-4-13-8-10-7-11(14-5-2)12(9-16-10)15-6-3/h10-12H,4-9H2,1-3H3
InChIKeyORNJJGFJQLRNSN-UHFFFAOYSA-N
MW232.32 g/mol
LogP1.62
Rot. Bonds7

About 4,5-diethoxy-2-(ethoxymethyl)oxane

4,5-diethoxy-2-(ethoxymethyl)oxane (PubChem CID 20981483) has the molecular formula C12H24O4 and a molecular weight of 232.32 g/mol. Its IUPAC name is 4,5-diethoxy-2-(ethoxymethyl)oxane.

Molecular Properties

Compound Name4,5-diethoxy-2-(ethoxymethyl)oxane
PubChem CID20981483
Molecular FormulaC12H24O4
Molecular Weight232.32 g/mol
Exact Mass232.17
IUPAC Name4,5-diethoxy-2-(ethoxymethyl)oxane
SMILESCCOCC1CC(OCC)C(OCC)CO1
InChIInChI=1S/C12H24O4/c1-4-13-8-10-7-11(14-5-2)12(9-16-10)15-6-3/h10-12H,4-9H2,1-3H3
InChIKeyORNJJGFJQLRNSN-UHFFFAOYSA-N
XLogP1.62
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethoxy-2-(ethoxymethyl)-4-methoxyoxane
CID 20981491
(3R,3aR,6R,6aS)-3,6-diethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 163360489
3,4-diethoxyoxolane
CID 14307969
2-(ethoxymethyl)-1,4-dioxane
CID 20725722
(1S,2R,4S,5S)-1,2,3,4,5-pentaethoxycyclohexane
CID 118346921
(3S,3aS,6R,6aS)-3,6-bis(2-ethoxyethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 102237665
2-(oxiran-2-ylmethoxymethyl)oxirane;propan-1-ol
CID 22222974
(6S)-6-(methoxymethoxymethyl)oxane-3,4-diamine
CID 11977040
ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87071861
2-(ethoxymethyl)oxirane;3-propylbicyclo[4.1.0]heptane
CID 159848161
4-(ethoxymethyl)-1,3,2-dioxathiolane 2,2-dioxide
CID 153262727
2-chloro-4-(ethoxymethyl)-1,3,2-dioxaphospholane
CID 12609879

Frequently Asked Questions

What is the IUPAC name of 4,5-diethoxy-2-(ethoxymethyl)oxane?
The IUPAC name of 4,5-diethoxy-2-(ethoxymethyl)oxane (CID 20981483) is 4,5-diethoxy-2-(ethoxymethyl)oxane.
What is the SMILES notation for 4,5-diethoxy-2-(ethoxymethyl)oxane?
The canonical SMILES for 4,5-diethoxy-2-(ethoxymethyl)oxane is CCOCC1CC(OCC)C(OCC)CO1.
What is the InChIKey of 4,5-diethoxy-2-(ethoxymethyl)oxane?
The InChIKey is ORNJJGFJQLRNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O4/c1-4-13-8-10-7-11(14-5-2)12(9-16-10)15-6-3/h10-12H,4-9H2,1-3H3.
What are the key properties of 4,5-diethoxy-2-(ethoxymethyl)oxane?
4,5-diethoxy-2-(ethoxymethyl)oxane has a molecular weight of 232.32 g/mol, XLogP of 1.62, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diethoxy-2-(ethoxymethyl)oxane is sourced from PubChem (CID 20981483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).