bis[2-(2-methoxyethoxy)ethyl] 2,3-dimethylpentanedioate

C17H32O8 — CID 101278877

IUPACbis[2-(2-methoxyethoxy)ethyl] 2,3-dimethylpentanedioate
SMILESCOCCOCCOC(=O)CC(C)C(C)C(=O)OCCOCCOC
InChIInChI=1S/C17H32O8/c1-14(13-16(18)24-11-9-22-7-5-20-3)15(2)17(19)25-12-10-23-8-6-21-4/h14-15H,5-13H2,1-4H3
InChIKeyBGECQPXTVKMRPY-UHFFFAOYSA-N
MW364.44 g/mol
LogP1.06
Rot. Bonds16

About bis[2-(2-methoxyethoxy)ethyl] 2,3-dimethylpentanedioate

bis[2-(2-methoxyethoxy)ethyl] 2,3-dimethylpentanedioate (PubChem CID 101278877) has the molecular formula C17H32O8 and a molecular weight of 364.44 g/mol. Its IUPAC name is bis[2-(2-methoxyethoxy)ethyl] 2,3-dimethylpentanedioate.

Molecular Properties

Compound Namebis[2-(2-methoxyethoxy)ethyl] 2,3-dimethylpentanedioate
PubChem CID101278877
Molecular FormulaC17H32O8
Molecular Weight364.44 g/mol
Exact Mass364.21
IUPAC Namebis[2-(2-methoxyethoxy)ethyl] 2,3-dimethylpentanedioate
SMILESCOCCOCCOC(=O)CC(C)C(C)C(=O)OCCOCCOC
InChIInChI=1S/C17H32O8/c1-14(13-16(18)24-11-9-22-7-5-20-3)15(2)17(19)25-12-10-23-8-6-21-4/h14-15H,5-13H2,1-4H3
InChIKeyBGECQPXTVKMRPY-UHFFFAOYSA-N
XLogP1.06
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

bis[2-(2-methoxyethoxy)ethyl] 3-ethyl-2-methylpentanedioate
CID 101278936
3-(2-methoxyethoxy)propyl 3-amino-2-methylbutanoate
CID 103403540
2-(2-methoxyethoxy)ethyl 3-(aminomethyl)-5-methylhexanoate
CID 104563584
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 2-sulfanylacetate
CID 125484596
2-(2-methoxyethoxy)ethyl 2-methylsulfonyloxypropanoate
CID 57132105
2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-hydroxy-2-(hydroxymethyl)propanoate
CID 58205614
2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-sulfanylacetate;stibane
CID 173439271
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 3-aminopropanoate
CID 169082303
bis(4-methoxybutyl) 2,3-dimethylbutanedioate
CID 101278780
2-(2-methoxyethoxy)ethyl 2-(methylamino)acetate
CID 104563542
2-ethoxyethyl 3,4-dimethylpentanoate
CID 142740065
2-(2-ethoxyethoxy)ethyl 3-methylbutanoate
CID 91696182

Frequently Asked Questions

What is the IUPAC name of bis[2-(2-methoxyethoxy)ethyl] 2,3-dimethylpentanedioate?
The IUPAC name of bis[2-(2-methoxyethoxy)ethyl] 2,3-dimethylpentanedioate (CID 101278877) is bis[2-(2-methoxyethoxy)ethyl] 2,3-dimethylpentanedioate.
What is the SMILES notation for bis[2-(2-methoxyethoxy)ethyl] 2,3-dimethylpentanedioate?
The canonical SMILES for bis[2-(2-methoxyethoxy)ethyl] 2,3-dimethylpentanedioate is COCCOCCOC(=O)CC(C)C(C)C(=O)OCCOCCOC.
What is the InChIKey of bis[2-(2-methoxyethoxy)ethyl] 2,3-dimethylpentanedioate?
The InChIKey is BGECQPXTVKMRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O8/c1-14(13-16(18)24-11-9-22-7-5-20-3)15(2)17(19)25-12-10-23-8-6-21-4/h14-15H,5-13H2,1-4H3.
What are the key properties of bis[2-(2-methoxyethoxy)ethyl] 2,3-dimethylpentanedioate?
bis[2-(2-methoxyethoxy)ethyl] 2,3-dimethylpentanedioate has a molecular weight of 364.44 g/mol, XLogP of 1.06, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(2-methoxyethoxy)ethyl] 2,3-dimethylpentanedioate is sourced from PubChem (CID 101278877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).