2-[2-(2,4-dimethyl-5-oxohexanoyl)oxyethoxy]ethyl 2,4-dimethyl-5-oxohexanoate

C20H34O7 — CID 118372663

IUPAC2-[2-(2,4-dimethyl-5-oxohexanoyl)oxyethoxy]ethyl 2,4-dimethyl-5-oxohexanoate
SMILESCC(=O)C(C)CC(C)C(=O)OCCOCCOC(=O)C(C)CC(C)C(C)=O
InChIInChI=1S/C20H34O7/c1-13(17(5)21)11-15(3)19(23)26-9-7-25-8-10-27-20(24)16(4)12-14(2)18(6)22/h13-16H,7-12H2,1-6H3
InChIKeyBCFFTWNZKUPVOF-UHFFFAOYSA-N
MW386.49 g/mol
LogP2.59
Rot. Bonds14

About 2-[2-(2,4-dimethyl-5-oxohexanoyl)oxyethoxy]ethyl 2,4-dimethyl-5-oxohexanoate

2-[2-(2,4-dimethyl-5-oxohexanoyl)oxyethoxy]ethyl 2,4-dimethyl-5-oxohexanoate (PubChem CID 118372663) has the molecular formula C20H34O7 and a molecular weight of 386.49 g/mol. Its IUPAC name is 2-[2-(2,4-dimethyl-5-oxohexanoyl)oxyethoxy]ethyl 2,4-dimethyl-5-oxohexanoate.

Molecular Properties

Compound Name2-[2-(2,4-dimethyl-5-oxohexanoyl)oxyethoxy]ethyl 2,4-dimethyl-5-oxohexanoate
PubChem CID118372663
Molecular FormulaC20H34O7
Molecular Weight386.49 g/mol
Exact Mass386.23
IUPAC Name2-[2-(2,4-dimethyl-5-oxohexanoyl)oxyethoxy]ethyl 2,4-dimethyl-5-oxohexanoate
SMILESCC(=O)C(C)CC(C)C(=O)OCCOCCOC(=O)C(C)CC(C)C(C)=O
InChIInChI=1S/C20H34O7/c1-13(17(5)21)11-15(3)19(23)26-9-7-25-8-10-27-20(24)16(4)12-14(2)18(6)22/h13-16H,7-12H2,1-6H3
InChIKeyBCFFTWNZKUPVOF-UHFFFAOYSA-N
XLogP2.59
TPSA95.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2,7-dimethyl-8-oxononanoyl)oxyethoxy]ethyl 2,7-dimethyl-8-oxononanoate
CID 118372687
2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylbutanoate
CID 58473820
2-ethoxyethyl (2R)-2-methylbutanoate
CID 59033497
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2,3-dioxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylbutanoate
CID 170008807
bis[2-(2-propoxyethoxy)ethyl] 2,4-dimethylhexanedioate
CID 101278934
2-methoxyethyl 2,4-dimethylpentanoate
CID 142740017
2-[2,2-bis[2-(2-methylbutanoyloxy)ethoxymethyl]butoxy]ethyl 2-methylbutanoate
CID 131979541
[3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-methyl-3-oxopropyl] 2-methylbutanoate
CID 131967149
3,5,7,9-tetramethylundecane-2,6,10-trione
CID 150395094
benzyl (2S,4R)-2,4-dimethyl-5-oxohexanoate
CID 160638130
2-butoxyethyl 3-chloro-2-methylpropanoate
CID 175064019
2-(2-ethoxyethoxy)ethyl 2,4,4-trimethylpentanoate
CID 166669949

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-dimethyl-5-oxohexanoyl)oxyethoxy]ethyl 2,4-dimethyl-5-oxohexanoate?
The IUPAC name of 2-[2-(2,4-dimethyl-5-oxohexanoyl)oxyethoxy]ethyl 2,4-dimethyl-5-oxohexanoate (CID 118372663) is 2-[2-(2,4-dimethyl-5-oxohexanoyl)oxyethoxy]ethyl 2,4-dimethyl-5-oxohexanoate.
What is the SMILES notation for 2-[2-(2,4-dimethyl-5-oxohexanoyl)oxyethoxy]ethyl 2,4-dimethyl-5-oxohexanoate?
The canonical SMILES for 2-[2-(2,4-dimethyl-5-oxohexanoyl)oxyethoxy]ethyl 2,4-dimethyl-5-oxohexanoate is CC(=O)C(C)CC(C)C(=O)OCCOCCOC(=O)C(C)CC(C)C(C)=O.
What is the InChIKey of 2-[2-(2,4-dimethyl-5-oxohexanoyl)oxyethoxy]ethyl 2,4-dimethyl-5-oxohexanoate?
The InChIKey is BCFFTWNZKUPVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O7/c1-13(17(5)21)11-15(3)19(23)26-9-7-25-8-10-27-20(24)16(4)12-14(2)18(6)22/h13-16H,7-12H2,1-6H3.
What are the key properties of 2-[2-(2,4-dimethyl-5-oxohexanoyl)oxyethoxy]ethyl 2,4-dimethyl-5-oxohexanoate?
2-[2-(2,4-dimethyl-5-oxohexanoyl)oxyethoxy]ethyl 2,4-dimethyl-5-oxohexanoate has a molecular weight of 386.49 g/mol, XLogP of 2.59, 14 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-dimethyl-5-oxohexanoyl)oxyethoxy]ethyl 2,4-dimethyl-5-oxohexanoate is sourced from PubChem (CID 118372663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).