2-[2-[2-[(5-ethyl-1,3-dioxan-5-yl)methoxy]ethoxy]ethoxy]ethanol

C13H26O6 — CID 86174948

IUPAC2-[2-[2-[(5-ethyl-1,3-dioxan-5-yl)methoxy]ethoxy]ethoxy]ethanol
SMILESCCC1(COCCOCCOCCO)COCOC1
InChIInChI=1S/C13H26O6/c1-2-13(10-18-12-19-11-13)9-17-8-7-16-6-5-15-4-3-14/h14H,2-12H2,1H3
InChIKeyIJKLWJXTOJJEJA-UHFFFAOYSA-N
MW278.34 g/mol
LogP0.43
Rot. Bonds11

About 2-[2-[2-[(5-ethyl-1,3-dioxan-5-yl)methoxy]ethoxy]ethoxy]ethanol

2-[2-[2-[(5-ethyl-1,3-dioxan-5-yl)methoxy]ethoxy]ethoxy]ethanol (PubChem CID 86174948) has the molecular formula C13H26O6 and a molecular weight of 278.34 g/mol. Its IUPAC name is 2-[2-[2-[(5-ethyl-1,3-dioxan-5-yl)methoxy]ethoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-[(5-ethyl-1,3-dioxan-5-yl)methoxy]ethoxy]ethoxy]ethanol
PubChem CID86174948
Molecular FormulaC13H26O6
Molecular Weight278.34 g/mol
Exact Mass278.17
IUPAC Name2-[2-[2-[(5-ethyl-1,3-dioxan-5-yl)methoxy]ethoxy]ethoxy]ethanol
SMILESCCC1(COCCOCCOCCO)COCOC1
InChIInChI=1S/C13H26O6/c1-2-13(10-18-12-19-11-13)9-17-8-7-16-6-5-15-4-3-14/h14H,2-12H2,1H3
InChIKeyIJKLWJXTOJJEJA-UHFFFAOYSA-N
XLogP0.43
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(3-ethyloxetan-3-yl)methoxy]butan-1-ol
CID 161051852
3-[2-(2-bromoethoxy)ethoxymethyl]-3-ethyloxetane
CID 58090262
[3-[(3-ethyloxetan-3-yl)methoxymethyl]oxetan-3-yl]methanol
CID 141464010
3-(butoxymethyl)-3-ethyloxetane;3,3-diethyloxetane
CID 160915976
tetrakis[(5-ethyl-1,3-dioxan-5-yl)methyl] silicate
CID 22098094
3-ethyl-3-(octadecoxymethyl)oxetane
CID 22496628
3-[(3-ethyloxetan-3-yl)methoxy]propyl-hydroxy-dimethylsilane
CID 59434230
3-ethyl-3-[2-[2-[2-(3-ethyloxetan-3-yl)ethoxy]ethoxy]ethyl]oxetane
CID 171781169
3-ethyl-3-[2-[2-[2-[2-[2-(3-ethyloxetan-3-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]oxetane
CID 59609295
3-ethyl-3-(4-methoxybutoxymethyl)oxetane;3-ethyl-3-(6-methoxyhexoxymethyl)oxetane;3-ethyl-3-(5-methoxypentoxymethyl)oxetane;3-ethyl-3-(3-methoxypropoxymethyl)oxetane
CID 157403854
[1-[(3-ethyloxetan-3-yl)methoxy]-3-[2-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxy]ethoxy]propan-2-yl] formate
CID 145439691
4-[2-[2-[(3-ethyloxetan-3-yl)methoxy]ethoxy]ethoxy]benzoic acid
CID 58090307

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[(5-ethyl-1,3-dioxan-5-yl)methoxy]ethoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[2-[(5-ethyl-1,3-dioxan-5-yl)methoxy]ethoxy]ethoxy]ethanol (CID 86174948) is 2-[2-[2-[(5-ethyl-1,3-dioxan-5-yl)methoxy]ethoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-[(5-ethyl-1,3-dioxan-5-yl)methoxy]ethoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2-[(5-ethyl-1,3-dioxan-5-yl)methoxy]ethoxy]ethoxy]ethanol is CCC1(COCCOCCOCCO)COCOC1.
What is the InChIKey of 2-[2-[2-[(5-ethyl-1,3-dioxan-5-yl)methoxy]ethoxy]ethoxy]ethanol?
The InChIKey is IJKLWJXTOJJEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O6/c1-2-13(10-18-12-19-11-13)9-17-8-7-16-6-5-15-4-3-14/h14H,2-12H2,1H3.
What are the key properties of 2-[2-[2-[(5-ethyl-1,3-dioxan-5-yl)methoxy]ethoxy]ethoxy]ethanol?
2-[2-[2-[(5-ethyl-1,3-dioxan-5-yl)methoxy]ethoxy]ethoxy]ethanol has a molecular weight of 278.34 g/mol, XLogP of 0.43, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[(5-ethyl-1,3-dioxan-5-yl)methoxy]ethoxy]ethoxy]ethanol is sourced from PubChem (CID 86174948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).