[5-ethyl-2-(2-methylpropoxy)-1,3-dioxan-5-yl]methanol

C11H22O4 — CID 150381482

IUPAC[5-ethyl-2-(2-methylpropoxy)-1,3-dioxan-5-yl]methanol
SMILESCCC1(CO)COC(OCC(C)C)OC1
InChIInChI=1S/C11H22O4/c1-4-11(6-12)7-14-10(15-8-11)13-5-9(2)3/h9-10,12H,4-8H2,1-3H3
InChIKeyGZVJGBXZCDEYFE-UHFFFAOYSA-N
MW218.29 g/mol
LogP1.38
Rot. Bonds5

About [5-ethyl-2-(2-methylpropoxy)-1,3-dioxan-5-yl]methanol

[5-ethyl-2-(2-methylpropoxy)-1,3-dioxan-5-yl]methanol (PubChem CID 150381482) has the molecular formula C11H22O4 and a molecular weight of 218.29 g/mol. Its IUPAC name is [5-ethyl-2-(2-methylpropoxy)-1,3-dioxan-5-yl]methanol.

Molecular Properties

Compound Name[5-ethyl-2-(2-methylpropoxy)-1,3-dioxan-5-yl]methanol
PubChem CID150381482
Molecular FormulaC11H22O4
Molecular Weight218.29 g/mol
Exact Mass218.15
IUPAC Name[5-ethyl-2-(2-methylpropoxy)-1,3-dioxan-5-yl]methanol
SMILESCCC1(CO)COC(OCC(C)C)OC1
InChIInChI=1S/C11H22O4/c1-4-11(6-12)7-14-10(15-8-11)13-5-9(2)3/h9-10,12H,4-8H2,1-3H3
InChIKeyGZVJGBXZCDEYFE-UHFFFAOYSA-N
XLogP1.38
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxypropyl 5-ethyl-5-(hydroxymethyl)-2-oxo-1,3,2λ5-dioxaphosphinane-2-carboxylate
CID 123259553
[3,12-diethyl-12-(hydroxymethyl)-8,16-dimethyl-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-yl]methanol
CID 139424065
[5-ethyl-2-(furan-2-yl)-1,3-dioxan-5-yl]methanol
CID 566076
2-ethyl-2-(hydroxymethyl)propane-1,3-diol;(3-ethyloxetan-3-yl)methanol;oxetane
CID 157089919
(2S)-2-(2-methylpropoxy)oxirane
CID 89027461
(2R)-2-(2-methylpropoxy)oxirane
CID 89027420
[3-[(3-ethyloxetan-3-yl)methoxymethyl]oxetan-3-yl]methanol
CID 141464010
2-ethoxy-5,5-dimethyl-1,3-dioxane
CID 11137431
[1-ethyl-3,3-di(propan-2-yl)cyclobutyl]methanol
CID 118458375
3-ethyl-3-(2-methylpropoxymethoxymethyl)oxetane
CID 57057164
(3-ethyl-8,10-dimethyl-1,5-dioxa-9-thiaspiro[5.5]undecan-3-yl)methanol
CID 20734140
(2,2-dibutyl-5-ethyl-1,3,2-dioxastanninan-5-yl)methanol
CID 59297314

Frequently Asked Questions

What is the IUPAC name of [5-ethyl-2-(2-methylpropoxy)-1,3-dioxan-5-yl]methanol?
The IUPAC name of [5-ethyl-2-(2-methylpropoxy)-1,3-dioxan-5-yl]methanol (CID 150381482) is [5-ethyl-2-(2-methylpropoxy)-1,3-dioxan-5-yl]methanol.
What is the SMILES notation for [5-ethyl-2-(2-methylpropoxy)-1,3-dioxan-5-yl]methanol?
The canonical SMILES for [5-ethyl-2-(2-methylpropoxy)-1,3-dioxan-5-yl]methanol is CCC1(CO)COC(OCC(C)C)OC1.
What is the InChIKey of [5-ethyl-2-(2-methylpropoxy)-1,3-dioxan-5-yl]methanol?
The InChIKey is GZVJGBXZCDEYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4/c1-4-11(6-12)7-14-10(15-8-11)13-5-9(2)3/h9-10,12H,4-8H2,1-3H3.
What are the key properties of [5-ethyl-2-(2-methylpropoxy)-1,3-dioxan-5-yl]methanol?
[5-ethyl-2-(2-methylpropoxy)-1,3-dioxan-5-yl]methanol has a molecular weight of 218.29 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-ethyl-2-(2-methylpropoxy)-1,3-dioxan-5-yl]methanol is sourced from PubChem (CID 150381482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).