8-(2-methoxyethoxy)-2-methyloctan-3-one

C12H24O3 — CID 103413613

IUPAC8-(2-methoxyethoxy)-2-methyloctan-3-one
SMILESCOCCOCCCCCC(=O)C(C)C
InChIInChI=1S/C12H24O3/c1-11(2)12(13)7-5-4-6-8-15-10-9-14-3/h11H,4-10H2,1-3H3
InChIKeyUYGRHEYUSGFDAJ-UHFFFAOYSA-N
MW216.32 g/mol
LogP2.43
Rot. Bonds10

About 8-(2-methoxyethoxy)-2-methyloctan-3-one

8-(2-methoxyethoxy)-2-methyloctan-3-one (PubChem CID 103413613) has the molecular formula C12H24O3 and a molecular weight of 216.32 g/mol. Its IUPAC name is 8-(2-methoxyethoxy)-2-methyloctan-3-one.

Molecular Properties

Compound Name8-(2-methoxyethoxy)-2-methyloctan-3-one
PubChem CID103413613
Molecular FormulaC12H24O3
Molecular Weight216.32 g/mol
Exact Mass216.17
IUPAC Name8-(2-methoxyethoxy)-2-methyloctan-3-one
SMILESCOCCOCCCCCC(=O)C(C)C
InChIInChI=1S/C12H24O3/c1-11(2)12(13)7-5-4-6-8-15-10-9-14-3/h11H,4-10H2,1-3H3
InChIKeyUYGRHEYUSGFDAJ-UHFFFAOYSA-N
XLogP2.43
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 52.43
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

2-methyl-8-[2-[2-(7-methyloctoxy)ethoxy]ethoxy]octan-3-one
CID 170679761
1-[2-[2-[2-[2-[2-[2-[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]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-methylpentan-3-one
CID 176767842
2-methyl-6-[2-(7-methyloctoxy)ethoxy]hexan-3-one
CID 164970854
2-methyl-8-[2-[2-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]octan-3-one
CID 165106129
2-methyl-10-[2-(7-methyl-5-oxooctoxy)ethoxy]decane-3,7-dione
CID 159032756
1,8-bis(2-methoxyethoxy)octane
CID 143118909
4-methyl-1-(6-methylheptoxy)pentan-3-one
CID 118441422
1-(2-methoxyethoxy)-4-[4-(2-methoxyethoxy)butoxy]butane
CID 58114561
2-methyl-2-(7-methyl-6-oxooctoxy)propanamide
CID 163841187
ethyl 10-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]decanoate
CID 118671454
(5S)-1,11-bis[2-[2-[2-[2-[2-[2-[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]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-methylundecane-4,8-dione
CID 162006820
6-fluoro-7-[2-(7-hydroxy-6-oxoheptoxy)ethoxy]-2-methylheptan-3-one
CID 157179328

Frequently Asked Questions

What is the IUPAC name of 8-(2-methoxyethoxy)-2-methyloctan-3-one?
The IUPAC name of 8-(2-methoxyethoxy)-2-methyloctan-3-one (CID 103413613) is 8-(2-methoxyethoxy)-2-methyloctan-3-one.
What is the SMILES notation for 8-(2-methoxyethoxy)-2-methyloctan-3-one?
The canonical SMILES for 8-(2-methoxyethoxy)-2-methyloctan-3-one is COCCOCCCCCC(=O)C(C)C.
What is the InChIKey of 8-(2-methoxyethoxy)-2-methyloctan-3-one?
The InChIKey is UYGRHEYUSGFDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3/c1-11(2)12(13)7-5-4-6-8-15-10-9-14-3/h11H,4-10H2,1-3H3.
What are the key properties of 8-(2-methoxyethoxy)-2-methyloctan-3-one?
8-(2-methoxyethoxy)-2-methyloctan-3-one has a molecular weight of 216.32 g/mol, XLogP of 2.43, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methoxyethoxy)-2-methyloctan-3-one is sourced from PubChem (CID 103413613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).