3-(1-methoxyethoxy)-1-(2-methoxyethoxy)-3-methylbutane

C11H24O4 — CID 150421823

IUPAC3-(1-methoxyethoxy)-1-(2-methoxyethoxy)-3-methylbutane
SMILESCOCCOCCC(C)(C)OC(C)OC
InChIInChI=1S/C11H24O4/c1-10(13-5)15-11(2,3)6-7-14-9-8-12-4/h10H,6-9H2,1-5H3
InChIKeyHHYHUSHUXNPEEA-UHFFFAOYSA-N
MW220.31 g/mol
LogP1.83
Rot. Bonds9

About 3-(1-methoxyethoxy)-1-(2-methoxyethoxy)-3-methylbutane

3-(1-methoxyethoxy)-1-(2-methoxyethoxy)-3-methylbutane (PubChem CID 150421823) has the molecular formula C11H24O4 and a molecular weight of 220.31 g/mol. Its IUPAC name is 3-(1-methoxyethoxy)-1-(2-methoxyethoxy)-3-methylbutane.

Molecular Properties

Compound Name3-(1-methoxyethoxy)-1-(2-methoxyethoxy)-3-methylbutane
PubChem CID150421823
Molecular FormulaC11H24O4
Molecular Weight220.31 g/mol
Exact Mass220.17
IUPAC Name3-(1-methoxyethoxy)-1-(2-methoxyethoxy)-3-methylbutane
SMILESCOCCOCCC(C)(C)OC(C)OC
InChIInChI=1S/C11H24O4/c1-10(13-5)15-11(2,3)6-7-14-9-8-12-4/h10H,6-9H2,1-5H3
InChIKeyHHYHUSHUXNPEEA-UHFFFAOYSA-N
XLogP1.83
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-[2-[1-[4-(2-hydroxyethoxy)-2-methylbutan-2-yl]oxyethoxy]ethoxy]-2-methylbutan-2-ol
CID 155214936
3-(bromomethyl)-1-[2-(2-methoxyethoxy)ethoxy]-3,4-dimethylpentane
CID 104568791
1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 8189
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 87439194
1,2-dimethoxyethane;1-methoxy-2-(2-methoxyethoxy)ethane;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 159847962
1-bromo-2-(bromomethyl)-4-(2-methoxyethoxy)-2-methylbutane
CID 79453199
1-(2-methoxyethoxy)-3,4,4-trimethylpentane
CID 157211030
CID 173303266
CID 173303266
lithium bis(1-methoxy-2-(2-methoxyethoxy)ethane)
CID 5257331
CID 172826348
CID 172826348
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane;neodymium
CID 161321430
1-methoxy-2-(2-methoxyethoxy)ethane;tellane
CID 175355772

Frequently Asked Questions

What is the IUPAC name of 3-(1-methoxyethoxy)-1-(2-methoxyethoxy)-3-methylbutane?
The IUPAC name of 3-(1-methoxyethoxy)-1-(2-methoxyethoxy)-3-methylbutane (CID 150421823) is 3-(1-methoxyethoxy)-1-(2-methoxyethoxy)-3-methylbutane.
What is the SMILES notation for 3-(1-methoxyethoxy)-1-(2-methoxyethoxy)-3-methylbutane?
The canonical SMILES for 3-(1-methoxyethoxy)-1-(2-methoxyethoxy)-3-methylbutane is COCCOCCC(C)(C)OC(C)OC.
What is the InChIKey of 3-(1-methoxyethoxy)-1-(2-methoxyethoxy)-3-methylbutane?
The InChIKey is HHYHUSHUXNPEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O4/c1-10(13-5)15-11(2,3)6-7-14-9-8-12-4/h10H,6-9H2,1-5H3.
What are the key properties of 3-(1-methoxyethoxy)-1-(2-methoxyethoxy)-3-methylbutane?
3-(1-methoxyethoxy)-1-(2-methoxyethoxy)-3-methylbutane has a molecular weight of 220.31 g/mol, XLogP of 1.83, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxyethoxy)-1-(2-methoxyethoxy)-3-methylbutane is sourced from PubChem (CID 150421823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).