1-(2-ethoxyethoxy)-3,3-dimethylbutan-2-one;methane

C16H44O3 — CID 158371084

IUPAC1-(2-ethoxyethoxy)-3,3-dimethylbutan-2-one;methane
SMILESC.C.C.C.C.C.CCOCCOCC(=O)C(C)(C)C
InChIInChI=1S/C10H20O3.6CH4/c1-5-12-6-7-13-8-9(11)10(2,3)4;;;;;;/h5-8H2,1-4H3;6*1H4
InChIKeyGUPSXRSVSHOBMA-UHFFFAOYSA-N
MW284.52 g/mol
LogP5.47
Rot. Bonds6

About 1-(2-ethoxyethoxy)-3,3-dimethylbutan-2-one;methane

1-(2-ethoxyethoxy)-3,3-dimethylbutan-2-one;methane (PubChem CID 158371084) has the molecular formula C16H44O3 and a molecular weight of 284.52 g/mol. Its IUPAC name is 1-(2-ethoxyethoxy)-3,3-dimethylbutan-2-one;methane.

Molecular Properties

Compound Name1-(2-ethoxyethoxy)-3,3-dimethylbutan-2-one;methane
PubChem CID158371084
Molecular FormulaC16H44O3
Molecular Weight284.52 g/mol
Exact Mass284.33
IUPAC Name1-(2-ethoxyethoxy)-3,3-dimethylbutan-2-one;methane
SMILESC.C.C.C.C.C.CCOCCOCC(=O)C(C)(C)C
InChIInChI=1S/C10H20O3.6CH4/c1-5-12-6-7-13-8-9(11)10(2,3)4;;;;;;/h5-8H2,1-4H3;6*1H4
InChIKeyGUPSXRSVSHOBMA-UHFFFAOYSA-N
XLogP5.47
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.52
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,3-Dimethyl-1-(2-methylpropoxy)butan-2-one
CID 43798763
3,3-Dimethyl-1-[(2-methylpropan-2-yl)oxy]butan-2-one
CID 14787694
1-(2-Methoxyethoxy)-3-methylbutan-2-one
CID 20589369
1-[2-[2-[2-[2-[2-(2-Methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3,3-dimethylbutan-2-one
CID 21335635
1-[2-(2-Methoxyethoxy)ethoxy]-3,3-dimethylbutan-2-one
CID 21335636
1-(2-Methoxyethoxy)-3,3-dimethylbutan-2-one
CID 21335639
1-(2-Ethoxyethoxy)-3,3-dimethylbutan-2-one
CID 43798412
3,3-Dimethyl-1-(3-methylbutoxy)butan-2-one
CID 43798560
1-Ethoxy-3,3-dimethylbutan-2-one
CID 43799607
3,3-Dimethyl-1-(2-methylbutan-2-yloxy)butan-2-one
CID 43800604
3,3-Dimethyl-1-propoxybutan-2-one
CID 43801140
1-Butoxy-3,3-dimethylbutan-2-one
CID 43801217

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethoxy)-3,3-dimethylbutan-2-one;methane?
The IUPAC name of 1-(2-ethoxyethoxy)-3,3-dimethylbutan-2-one;methane (CID 158371084) is 1-(2-ethoxyethoxy)-3,3-dimethylbutan-2-one;methane.
What is the SMILES notation for 1-(2-ethoxyethoxy)-3,3-dimethylbutan-2-one;methane?
The canonical SMILES for 1-(2-ethoxyethoxy)-3,3-dimethylbutan-2-one;methane is C.C.C.C.C.C.CCOCCOCC(=O)C(C)(C)C.
What is the InChIKey of 1-(2-ethoxyethoxy)-3,3-dimethylbutan-2-one;methane?
The InChIKey is GUPSXRSVSHOBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3.6CH4/c1-5-12-6-7-13-8-9(11)10(2,3)4;;;;;;/h5-8H2,1-4H3;6*1H4.
What are the key properties of 1-(2-ethoxyethoxy)-3,3-dimethylbutan-2-one;methane?
1-(2-ethoxyethoxy)-3,3-dimethylbutan-2-one;methane has a molecular weight of 284.52 g/mol, XLogP of 5.47, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethoxy)-3,3-dimethylbutan-2-one;methane is sourced from PubChem (CID 158371084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).