bis[2-[2-(2-hydroxyethoxy)ethoxy]ethyl] oxalate

C14H26O10 — CID 174537242

IUPACbis[2-[2-(2-hydroxyethoxy)ethoxy]ethyl] oxalate
SMILESO=C(OCCOCCOCCO)C(=O)OCCOCCOCCO
InChIInChI=1S/C14H26O10/c15-1-3-19-5-7-21-9-11-23-13(17)14(18)24-12-10-22-8-6-20-4-2-16/h15-16H,1-12H2
InChIKeyMTHOLPJPHXLTIG-UHFFFAOYSA-N
MW354.35 g/mol
LogP-1.88
Rot. Bonds16

About bis[2-[2-(2-hydroxyethoxy)ethoxy]ethyl] oxalate

bis[2-[2-(2-hydroxyethoxy)ethoxy]ethyl] oxalate (PubChem CID 174537242) has the molecular formula C14H26O10 and a molecular weight of 354.35 g/mol. Its IUPAC name is bis[2-[2-(2-hydroxyethoxy)ethoxy]ethyl] oxalate.

Molecular Properties

Compound Namebis[2-[2-(2-hydroxyethoxy)ethoxy]ethyl] oxalate
PubChem CID174537242
Molecular FormulaC14H26O10
Molecular Weight354.35 g/mol
Exact Mass354.15
IUPAC Namebis[2-[2-(2-hydroxyethoxy)ethoxy]ethyl] oxalate
SMILESO=C(OCCOCCOCCO)C(=O)OCCOCCOCCO
InChIInChI=1S/C14H26O10/c15-1-3-19-5-7-21-9-11-23-13(17)14(18)24-12-10-22-8-6-20-4-2-16/h15-16H,1-12H2
InChIKeyMTHOLPJPHXLTIG-UHFFFAOYSA-N
XLogP-1.88
TPSA129.98 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.35
LogP ≤ 5-1.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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

1-O-[2-(2-hydroxyethoxy)ethyl] 2-O-[2-(2-methoxyethoxy)ethyl] oxalate
CID 89311377
2-hydroxyethyl 2-[2-(2-hydroxyethoxy)ethoxy]prop-2-enoate
CID 174488486
2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 19001742
2-[2-(2-hydroxyethoxy)ethoxy]ethyl 2-methylidenebutanoate
CID 88500447
2-(2-hydroxyethoxy)ethyl 2-carbamoylprop-2-enoate
CID 118963165
2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl acetate
CID 91699049
2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methoxyprop-2-enoate
CID 175188156
2-(2-hydroxyethoxy)ethyl 2-methyl-3,3-bis(sulfanyl)prop-2-enoate
CID 87240269
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 3,3-dimethyl-2-methylidenebutanoate
CID 87550777
2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 17472
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619695
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619703

Frequently Asked Questions

What is the IUPAC name of bis[2-[2-(2-hydroxyethoxy)ethoxy]ethyl] oxalate?
The IUPAC name of bis[2-[2-(2-hydroxyethoxy)ethoxy]ethyl] oxalate (CID 174537242) is bis[2-[2-(2-hydroxyethoxy)ethoxy]ethyl] oxalate.
What is the SMILES notation for bis[2-[2-(2-hydroxyethoxy)ethoxy]ethyl] oxalate?
The canonical SMILES for bis[2-[2-(2-hydroxyethoxy)ethoxy]ethyl] oxalate is O=C(OCCOCCOCCO)C(=O)OCCOCCOCCO.
What is the InChIKey of bis[2-[2-(2-hydroxyethoxy)ethoxy]ethyl] oxalate?
The InChIKey is MTHOLPJPHXLTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O10/c15-1-3-19-5-7-21-9-11-23-13(17)14(18)24-12-10-22-8-6-20-4-2-16/h15-16H,1-12H2.
What are the key properties of bis[2-[2-(2-hydroxyethoxy)ethoxy]ethyl] oxalate?
bis[2-[2-(2-hydroxyethoxy)ethoxy]ethyl] oxalate has a molecular weight of 354.35 g/mol, XLogP of -1.88, 16 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-[2-(2-hydroxyethoxy)ethoxy]ethyl] oxalate is sourced from PubChem (CID 174537242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).