1-[2-(2-methoxyethoxy)ethoxy]-4,4-dimethylpentan-2-one

C12H24O4 — CID 21335637

IUPAC1-[2-(2-methoxyethoxy)ethoxy]-4,4-dimethylpentan-2-one
SMILESCOCCOCCOCC(=O)CC(C)(C)C
InChIInChI=1S/C12H24O4/c1-12(2,3)9-11(13)10-16-8-7-15-6-5-14-4/h5-10H2,1-4H3
InChIKeyCCSUJZGWFLQGLF-UHFFFAOYSA-N
MW232.32 g/mol
LogP1.67
Rot. Bonds9

About 1-[2-(2-methoxyethoxy)ethoxy]-4,4-dimethylpentan-2-one

1-[2-(2-methoxyethoxy)ethoxy]-4,4-dimethylpentan-2-one (PubChem CID 21335637) has the molecular formula C12H24O4 and a molecular weight of 232.32 g/mol. Its IUPAC name is 1-[2-(2-methoxyethoxy)ethoxy]-4,4-dimethylpentan-2-one.

Molecular Properties

Compound Name1-[2-(2-methoxyethoxy)ethoxy]-4,4-dimethylpentan-2-one
PubChem CID21335637
Molecular FormulaC12H24O4
Molecular Weight232.32 g/mol
Exact Mass232.17
IUPAC Name1-[2-(2-methoxyethoxy)ethoxy]-4,4-dimethylpentan-2-one
SMILESCOCCOCCOCC(=O)CC(C)(C)C
InChIInChI=1S/C12H24O4/c1-12(2,3)9-11(13)10-16-8-7-15-6-5-14-4/h5-10H2,1-4H3
InChIKeyCCSUJZGWFLQGLF-UHFFFAOYSA-N
XLogP1.67
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
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-Ethoxy-4,4-dimethyl-2-pentanone
CID 316615
1-Ethoxy-4-methylpentan-2-one
CID 316620
(4,4-Dimethyl-2-oxopentyl) acetate
CID 57708336
4-(4,4-Dimethyl-3-oxopentan-2-yl)oxy-2,2-dimethylpentan-3-one
CID 21197315
1-[2-(2-Methoxyethoxy)ethoxy]-3,3-dimethylbutan-2-one
CID 21335636
1-(2-Methoxyethoxy)-3,3-dimethylbutan-2-one
CID 21335639
[1-(4,4-Dimethyl-3-oxopentan-2-yl)oxy-1-oxopropan-2-yl] 2,2-dimethylpropanoate
CID 22973491
1-Methoxy-4,4-dimethylpentan-2-one
CID 23448367
1-(2-Ethoxyethoxy)-3,3-dimethylbutan-2-one
CID 43798412
3,3-Dimethyl-1-(4-methylpentoxy)butan-2-one
CID 43800523
3,3-Dimethyl-1-pentoxybutan-2-one
CID 43801298
1-Methoxy-3,3-dimethylpentan-2-one
CID 55268781

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyethoxy)ethoxy]-4,4-dimethylpentan-2-one?
The IUPAC name of 1-[2-(2-methoxyethoxy)ethoxy]-4,4-dimethylpentan-2-one (CID 21335637) is 1-[2-(2-methoxyethoxy)ethoxy]-4,4-dimethylpentan-2-one.
What is the SMILES notation for 1-[2-(2-methoxyethoxy)ethoxy]-4,4-dimethylpentan-2-one?
The canonical SMILES for 1-[2-(2-methoxyethoxy)ethoxy]-4,4-dimethylpentan-2-one is COCCOCCOCC(=O)CC(C)(C)C.
What is the InChIKey of 1-[2-(2-methoxyethoxy)ethoxy]-4,4-dimethylpentan-2-one?
The InChIKey is CCSUJZGWFLQGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O4/c1-12(2,3)9-11(13)10-16-8-7-15-6-5-14-4/h5-10H2,1-4H3.
What are the key properties of 1-[2-(2-methoxyethoxy)ethoxy]-4,4-dimethylpentan-2-one?
1-[2-(2-methoxyethoxy)ethoxy]-4,4-dimethylpentan-2-one has a molecular weight of 232.32 g/mol, XLogP of 1.67, 9 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]-4,4-dimethylpentan-2-one is sourced from PubChem (CID 21335637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).