2-(2-methoxyethoxymethyl)-2-methyl-1,4,7,10-tetraoxacyclododecane

C13H26O6 — CID 102268049

IUPAC2-(2-methoxyethoxymethyl)-2-methyl-1,4,7,10-tetraoxacyclododecane
SMILESCOCCOCC1(C)COCCOCCOCCO1
InChIInChI=1S/C13H26O6/c1-13(11-17-4-3-14-2)12-18-8-7-15-5-6-16-9-10-19-13/h3-12H2,1-2H3
InChIKeyVUFUPKXLVTVLHH-UHFFFAOYSA-N
MW278.34 g/mol
LogP0.49
Rot. Bonds5

About 2-(2-methoxyethoxymethyl)-2-methyl-1,4,7,10-tetraoxacyclododecane

2-(2-methoxyethoxymethyl)-2-methyl-1,4,7,10-tetraoxacyclododecane (PubChem CID 102268049) has the molecular formula C13H26O6 and a molecular weight of 278.34 g/mol. Its IUPAC name is 2-(2-methoxyethoxymethyl)-2-methyl-1,4,7,10-tetraoxacyclododecane.

Molecular Properties

Compound Name2-(2-methoxyethoxymethyl)-2-methyl-1,4,7,10-tetraoxacyclododecane
PubChem CID102268049
Molecular FormulaC13H26O6
Molecular Weight278.34 g/mol
Exact Mass278.17
IUPAC Name2-(2-methoxyethoxymethyl)-2-methyl-1,4,7,10-tetraoxacyclododecane
SMILESCOCCOCC1(C)COCCOCCOCCO1
InChIInChI=1S/C13H26O6/c1-13(11-17-4-3-14-2)12-18-8-7-15-5-6-16-9-10-19-13/h3-12H2,1-2H3
InChIKeyVUFUPKXLVTVLHH-UHFFFAOYSA-N
XLogP0.49
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,12-dimethyl-2,12-bis[2-(oxan-2-yloxy)ethoxymethyl]-1,4,7,10,13,16-hexaoxacyclooctadecane
CID 11410911
1,2-dimethoxyethane;1,4,7,10,13,16-hexaoxacyclooctadecane
CID 87702464
2,12-bis(bromomethyl)-2,12-dimethyl-1,4,7,10,13-pentaoxacyclopentadecane
CID 102587971
12-(2-methoxyethoxy)-12-methyl-1,4,7,10-tetraoxacyclotridecane
CID 15721735
2-ethyl-2-methyl-1,4-dioxane
CID 21332866
2-methyl-2-(2-propoxyethoxymethyl)oxirane
CID 59969166
12-methyl-12-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxymethyl]-1,4,7,10-tetraoxacyclotridecane
CID 10022548
6-methyl-16-pyren-1-yl-6-[2-[2-(pyren-1-ylmethoxy)ethoxy]ethoxymethyl]-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 132992534
2-methyl-2-(pentoxymethyl)oxirane
CID 23468435
2-(heptoxymethyl)-2-methyloxirane
CID 23468444
[4-(2-methoxyethoxymethyl)oxan-4-yl]methanesulfonyl chloride
CID 65004170
2-(18-bromooctadecoxymethyl)-2-methyloxirane
CID 88708364

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxymethyl)-2-methyl-1,4,7,10-tetraoxacyclododecane?
The IUPAC name of 2-(2-methoxyethoxymethyl)-2-methyl-1,4,7,10-tetraoxacyclododecane (CID 102268049) is 2-(2-methoxyethoxymethyl)-2-methyl-1,4,7,10-tetraoxacyclododecane.
What is the SMILES notation for 2-(2-methoxyethoxymethyl)-2-methyl-1,4,7,10-tetraoxacyclododecane?
The canonical SMILES for 2-(2-methoxyethoxymethyl)-2-methyl-1,4,7,10-tetraoxacyclododecane is COCCOCC1(C)COCCOCCOCCO1.
What is the InChIKey of 2-(2-methoxyethoxymethyl)-2-methyl-1,4,7,10-tetraoxacyclododecane?
The InChIKey is VUFUPKXLVTVLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O6/c1-13(11-17-4-3-14-2)12-18-8-7-15-5-6-16-9-10-19-13/h3-12H2,1-2H3.
What are the key properties of 2-(2-methoxyethoxymethyl)-2-methyl-1,4,7,10-tetraoxacyclododecane?
2-(2-methoxyethoxymethyl)-2-methyl-1,4,7,10-tetraoxacyclododecane has a molecular weight of 278.34 g/mol, XLogP of 0.49, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxymethyl)-2-methyl-1,4,7,10-tetraoxacyclododecane is sourced from PubChem (CID 102268049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).