1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3,3-dimethylbutan-2-one

C13H26O5 — CID 113427120

IUPAC1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3,3-dimethylbutan-2-one
SMILESCOCCOCCOCCOCC(=O)C(C)(C)C
InChIInChI=1S/C13H26O5/c1-13(2,3)12(14)11-18-10-9-17-8-7-16-6-5-15-4/h5-11H2,1-4H3
InChIKeyAKVHUHHDVXGULD-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.30
Rot. Bonds11

About 1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3,3-dimethylbutan-2-one

1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3,3-dimethylbutan-2-one (PubChem CID 113427120) has the molecular formula C13H26O5 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3,3-dimethylbutan-2-one.

Molecular Properties

Compound Name1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3,3-dimethylbutan-2-one
PubChem CID113427120
Molecular FormulaC13H26O5
Molecular Weight262.35 g/mol
Exact Mass262.18
IUPAC Name1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3,3-dimethylbutan-2-one
SMILESCOCCOCCOCCOCC(=O)C(C)(C)C
InChIInChI=1S/C13H26O5/c1-13(2,3)12(14)11-18-10-9-17-8-7-16-6-5-15-4/h5-11H2,1-4H3
InChIKeyAKVHUHHDVXGULD-UHFFFAOYSA-N
XLogP1.30
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-butoxyethoxy)-3,3-dimethylbutan-2-one
CID 43800229
1-[2-(2-methoxyethoxy)ethoxy]-3,3-dimethylpentan-2-one
CID 89017435
1-(2-ethoxyethoxy)-3,3-dimethylbutan-2-one;methane
CID 158371084
3,3-dimethyl-1-(2-propan-2-yloxyethoxy)butan-2-one
CID 43799168
3,3-dimethyl-1-[2-(4-methylpentoxy)ethoxy]butan-2-one
CID 169040434
tert-butyl 2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 155606966
1-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-2-one
CID 175805082
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 15118673
1,3-bis(2-methoxyethoxy)propan-2-one
CID 14893271
2-[2-(2-methoxyethoxy)ethoxy]acetic acid;zinc
CID 87575071
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanethioic S-acid
CID 88598510
methyl 2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 91694163

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3,3-dimethylbutan-2-one?
The IUPAC name of 1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3,3-dimethylbutan-2-one (CID 113427120) is 1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3,3-dimethylbutan-2-one.
What is the SMILES notation for 1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3,3-dimethylbutan-2-one?
The canonical SMILES for 1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3,3-dimethylbutan-2-one is COCCOCCOCCOCC(=O)C(C)(C)C.
What is the InChIKey of 1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3,3-dimethylbutan-2-one?
The InChIKey is AKVHUHHDVXGULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O5/c1-13(2,3)12(14)11-18-10-9-17-8-7-16-6-5-15-4/h5-11H2,1-4H3.
What are the key properties of 1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3,3-dimethylbutan-2-one?
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3,3-dimethylbutan-2-one has a molecular weight of 262.35 g/mol, XLogP of 1.30, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3,3-dimethylbutan-2-one is sourced from PubChem (CID 113427120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).