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

C12H24O4 — CID 89017435

IUPAC1-[2-(2-methoxyethoxy)ethoxy]-3,3-dimethylpentan-2-one
SMILESCCC(C)(C)C(=O)COCCOCCOC
InChIInChI=1S/C12H24O4/c1-5-12(2,3)11(13)10-16-9-8-15-7-6-14-4/h5-10H2,1-4H3
InChIKeyTWAYSAWDHBPWHI-UHFFFAOYSA-N
MW232.32 g/mol
LogP1.67
Rot. Bonds10

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

1-[2-(2-methoxyethoxy)ethoxy]-3,3-dimethylpentan-2-one (PubChem CID 89017435) has the molecular formula C12H24O4 and a molecular weight of 232.32 g/mol. Its IUPAC name is 1-[2-(2-methoxyethoxy)ethoxy]-3,3-dimethylpentan-2-one.

Molecular Properties

Compound Name1-[2-(2-methoxyethoxy)ethoxy]-3,3-dimethylpentan-2-one
PubChem CID89017435
Molecular FormulaC12H24O4
Molecular Weight232.32 g/mol
Exact Mass232.17
IUPAC Name1-[2-(2-methoxyethoxy)ethoxy]-3,3-dimethylpentan-2-one
SMILESCCC(C)(C)C(=O)COCCOCCOC
InChIInChI=1S/C12H24O4/c1-5-12(2,3)11(13)10-16-9-8-15-7-6-14-4/h5-10H2,1-4H3
InChIKeyTWAYSAWDHBPWHI-UHFFFAOYSA-N
XLogP1.67
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3,3-dimethylbutan-2-one
CID 113427120
1-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one
CID 89328911
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
methyl 3-[3-(2-methoxyethoxy)propoxy]-2,2-dimethylpropanoate
CID 103400749
1-(2-butoxyethoxy)-3,3-dimethylbutan-2-one
CID 43800229
1,3-bis(2-methoxyethoxy)propan-2-one
CID 14893271
ethanol;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 87301416
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-methoxyethoxy)ethoxy]-3,3-dimethylpentan-2-one?
The IUPAC name of 1-[2-(2-methoxyethoxy)ethoxy]-3,3-dimethylpentan-2-one (CID 89017435) is 1-[2-(2-methoxyethoxy)ethoxy]-3,3-dimethylpentan-2-one.
What is the SMILES notation for 1-[2-(2-methoxyethoxy)ethoxy]-3,3-dimethylpentan-2-one?
The canonical SMILES for 1-[2-(2-methoxyethoxy)ethoxy]-3,3-dimethylpentan-2-one is CCC(C)(C)C(=O)COCCOCCOC.
What is the InChIKey of 1-[2-(2-methoxyethoxy)ethoxy]-3,3-dimethylpentan-2-one?
The InChIKey is TWAYSAWDHBPWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O4/c1-5-12(2,3)11(13)10-16-9-8-15-7-6-14-4/h5-10H2,1-4H3.
What are the key properties of 1-[2-(2-methoxyethoxy)ethoxy]-3,3-dimethylpentan-2-one?
1-[2-(2-methoxyethoxy)ethoxy]-3,3-dimethylpentan-2-one has a molecular weight of 232.32 g/mol, XLogP of 1.67, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyethoxy)ethoxy]-3,3-dimethylpentan-2-one is sourced from PubChem (CID 89017435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).