bis[2-(2-butoxyethoxy)ethyl] oxalate

C18H34O8 — CID 3521781

IUPACbis[2-(2-butoxyethoxy)ethyl] oxalate
SMILESCCCCOCCOCCOC(=O)C(=O)OCCOCCOCCCC
InChIInChI=1S/C18H34O8/c1-3-5-7-21-9-11-23-13-15-25-17(19)18(20)26-16-14-24-12-10-22-8-6-4-2/h3-16H2,1-2H3
InChIKeySPPRCJUFTATEQB-UHFFFAOYSA-N
MW378.46 g/mol
LogP1.74
Rot. Bonds18

About bis[2-(2-butoxyethoxy)ethyl] oxalate

bis[2-(2-butoxyethoxy)ethyl] oxalate (PubChem CID 3521781) has the molecular formula C18H34O8 and a molecular weight of 378.46 g/mol. Its IUPAC name is bis[2-(2-butoxyethoxy)ethyl] oxalate.

Molecular Properties

Compound Namebis[2-(2-butoxyethoxy)ethyl] oxalate
PubChem CID3521781
Molecular FormulaC18H34O8
Molecular Weight378.46 g/mol
Exact Mass378.23
IUPAC Namebis[2-(2-butoxyethoxy)ethyl] oxalate
SMILESCCCCOCCOCCOC(=O)C(=O)OCCOCCOCCCC
InChIInChI=1S/C18H34O8/c1-3-5-7-21-9-11-23-13-15-25-17(19)18(20)26-16-14-24-12-10-22-8-6-4-2/h3-16H2,1-2H3
InChIKeySPPRCJUFTATEQB-UHFFFAOYSA-N
XLogP1.74
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

bis(2-butoxyethyl) 2-methylidenepropanedioate
CID 156690471
2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 22247396
2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl hydrogen carbonate
CID 87841701
2-(2-butoxyethoxy)ethyl acetate;2-butoxyethyl acetate
CID 158130160
2-[2-[2-[2-[2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl acetate
CID 6428192
2-butoxyethyl acetate;silver
CID 87311971
2-(2-butoxyethoxy)ethyl acetate;methane
CID 87739734
2-butoxyethyl acetate;2-propoxyethyl acetate
CID 88726109
2-(2-butoxyethoxy)ethyl pentanoate
CID 57063058
2-butoxyethyl acetate;propyl acetate
CID 19764185
2-butoxyethyl 2-aminoacetate
CID 61304060
2-[2-[2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 102117026

Frequently Asked Questions

What is the IUPAC name of bis[2-(2-butoxyethoxy)ethyl] oxalate?
The IUPAC name of bis[2-(2-butoxyethoxy)ethyl] oxalate (CID 3521781) is bis[2-(2-butoxyethoxy)ethyl] oxalate.
What is the SMILES notation for bis[2-(2-butoxyethoxy)ethyl] oxalate?
The canonical SMILES for bis[2-(2-butoxyethoxy)ethyl] oxalate is CCCCOCCOCCOC(=O)C(=O)OCCOCCOCCCC.
What is the InChIKey of bis[2-(2-butoxyethoxy)ethyl] oxalate?
The InChIKey is SPPRCJUFTATEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O8/c1-3-5-7-21-9-11-23-13-15-25-17(19)18(20)26-16-14-24-12-10-22-8-6-4-2/h3-16H2,1-2H3.
What are the key properties of bis[2-(2-butoxyethoxy)ethyl] oxalate?
bis[2-(2-butoxyethoxy)ethyl] oxalate has a molecular weight of 378.46 g/mol, XLogP of 1.74, 18 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(2-butoxyethoxy)ethyl] oxalate is sourced from PubChem (CID 3521781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).