[2,5-diethoxy-5-(2-methylpropanoyloxymethyl)-1,4-dioxan-2-yl]methyl 2-methylpropanoate

C18H32O8 — CID 66981665

IUPAC[2,5-diethoxy-5-(2-methylpropanoyloxymethyl)-1,4-dioxan-2-yl]methyl 2-methylpropanoate
SMILESCCOC1(COC(=O)C(C)C)COC(COC(=O)C(C)C)(OCC)CO1
InChIInChI=1S/C18H32O8/c1-7-23-17(9-21-15(19)13(3)4)11-26-18(12-25-17,24-8-2)10-22-16(20)14(5)6/h13-14H,7-12H2,1-6H3
InChIKeyLOTZKMNMHPLJEO-UHFFFAOYSA-N
MW376.45 g/mol
LogP1.90
Rot. Bonds10

About [2,5-diethoxy-5-(2-methylpropanoyloxymethyl)-1,4-dioxan-2-yl]methyl 2-methylpropanoate

[2,5-diethoxy-5-(2-methylpropanoyloxymethyl)-1,4-dioxan-2-yl]methyl 2-methylpropanoate (PubChem CID 66981665) has the molecular formula C18H32O8 and a molecular weight of 376.45 g/mol. Its IUPAC name is [2,5-diethoxy-5-(2-methylpropanoyloxymethyl)-1,4-dioxan-2-yl]methyl 2-methylpropanoate.

Molecular Properties

Compound Name[2,5-diethoxy-5-(2-methylpropanoyloxymethyl)-1,4-dioxan-2-yl]methyl 2-methylpropanoate
PubChem CID66981665
Molecular FormulaC18H32O8
Molecular Weight376.45 g/mol
Exact Mass376.21
IUPAC Name[2,5-diethoxy-5-(2-methylpropanoyloxymethyl)-1,4-dioxan-2-yl]methyl 2-methylpropanoate
SMILESCCOC1(COC(=O)C(C)C)COC(COC(=O)C(C)C)(OCC)CO1
InChIInChI=1S/C18H32O8/c1-7-23-17(9-21-15(19)13(3)4)11-26-18(12-25-17,24-8-2)10-22-16(20)14(5)6/h13-14H,7-12H2,1-6H3
InChIKeyLOTZKMNMHPLJEO-UHFFFAOYSA-N
XLogP1.90
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [2,5-diethoxy-5-(2-methylpropanoyloxymethyl)-1,4-dioxan-2-yl]methyl 2-methylpropanoate with MolForge

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Related Compounds

2-ethoxy-2-ethyloxirane
CID 87059736
ethyl 2-methylpropanoate;formic acid
CID 175762228
ethyl 2-ethoxyoxirane-2-carboxylate
CID 123555291
ethyl 2-methylpropanoate;pentachloro-λ5-stibane
CID 139244131
2,5-diethoxy-1,4-dioxane-2,5-dicarboxylic acid
CID 66981661
1-(1-ethoxycyclobutyl)-2-methylpropan-1-one
CID 176614668
1-ethoxycyclopropane-1-carbonyl chloride
CID 45081272
(2,2,5-trimethyl-1,3-dioxan-5-yl) 2-methylpropanoate
CID 175254873
ethane;propane;prop-2-enyl 2-methylpropanoate
CID 158123161
cyclopropyl 2-methylpropanoate
CID 54511576
[5-methyl-2-[(2R)-2-(2-methylpropanoyloxymethyl)oxiran-2-yl]phenyl] (2S)-2-methylbutanoate
CID 38362523
ethyl 8-ethoxy-1,4-dioxaspiro[4.5]decane-8-carboxylate
CID 129073640

Frequently Asked Questions

What is the IUPAC name of [2,5-diethoxy-5-(2-methylpropanoyloxymethyl)-1,4-dioxan-2-yl]methyl 2-methylpropanoate?
The IUPAC name of [2,5-diethoxy-5-(2-methylpropanoyloxymethyl)-1,4-dioxan-2-yl]methyl 2-methylpropanoate (CID 66981665) is [2,5-diethoxy-5-(2-methylpropanoyloxymethyl)-1,4-dioxan-2-yl]methyl 2-methylpropanoate.
What is the SMILES notation for [2,5-diethoxy-5-(2-methylpropanoyloxymethyl)-1,4-dioxan-2-yl]methyl 2-methylpropanoate?
The canonical SMILES for [2,5-diethoxy-5-(2-methylpropanoyloxymethyl)-1,4-dioxan-2-yl]methyl 2-methylpropanoate is CCOC1(COC(=O)C(C)C)COC(COC(=O)C(C)C)(OCC)CO1.
What is the InChIKey of [2,5-diethoxy-5-(2-methylpropanoyloxymethyl)-1,4-dioxan-2-yl]methyl 2-methylpropanoate?
The InChIKey is LOTZKMNMHPLJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O8/c1-7-23-17(9-21-15(19)13(3)4)11-26-18(12-25-17,24-8-2)10-22-16(20)14(5)6/h13-14H,7-12H2,1-6H3.
What are the key properties of [2,5-diethoxy-5-(2-methylpropanoyloxymethyl)-1,4-dioxan-2-yl]methyl 2-methylpropanoate?
[2,5-diethoxy-5-(2-methylpropanoyloxymethyl)-1,4-dioxan-2-yl]methyl 2-methylpropanoate has a molecular weight of 376.45 g/mol, XLogP of 1.90, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2,5-diethoxy-5-(2-methylpropanoyloxymethyl)-1,4-dioxan-2-yl]methyl 2-methylpropanoate is sourced from PubChem (CID 66981665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).