2-[2-[2-(furan-2-ylmethoxy)ethoxy]ethoxy]ethyl 2-diazoacetate

C13H18N2O6 — CID 101049735

IUPAC2-[2-[2-(furan-2-ylmethoxy)ethoxy]ethoxy]ethyl 2-diazoacetate
SMILES[N-]=[N+]=CC(=O)OCCOCCOCCOCc1ccco1
InChIInChI=1S/C13H18N2O6/c14-15-10-13(16)21-9-8-18-5-4-17-6-7-19-11-12-2-1-3-20-12/h1-3,10H,4-9,11H2
InChIKeyBHIYXPKXILGILA-UHFFFAOYSA-N
MW298.29 g/mol
LogP0.67
Rot. Bonds12

About 2-[2-[2-(furan-2-ylmethoxy)ethoxy]ethoxy]ethyl 2-diazoacetate

2-[2-[2-(furan-2-ylmethoxy)ethoxy]ethoxy]ethyl 2-diazoacetate (PubChem CID 101049735) has the molecular formula C13H18N2O6 and a molecular weight of 298.29 g/mol. Its IUPAC name is 2-[2-[2-(furan-2-ylmethoxy)ethoxy]ethoxy]ethyl 2-diazoacetate.

Molecular Properties

Compound Name2-[2-[2-(furan-2-ylmethoxy)ethoxy]ethoxy]ethyl 2-diazoacetate
PubChem CID101049735
Molecular FormulaC13H18N2O6
Molecular Weight298.29 g/mol
Exact Mass298.12
IUPAC Name2-[2-[2-(furan-2-ylmethoxy)ethoxy]ethoxy]ethyl 2-diazoacetate
SMILES[N-]=[N+]=CC(=O)OCCOCCOCCOCc1ccco1
InChIInChI=1S/C13H18N2O6/c14-15-10-13(16)21-9-8-18-5-4-17-6-7-19-11-12-2-1-3-20-12/h1-3,10H,4-9,11H2
InChIKeyBHIYXPKXILGILA-UHFFFAOYSA-N
XLogP0.67
TPSA103.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(furan-2-ylmethoxy)ethoxy]ethoxy]ethyl 2-diazoacetate?
The IUPAC name of 2-[2-[2-(furan-2-ylmethoxy)ethoxy]ethoxy]ethyl 2-diazoacetate (CID 101049735) is 2-[2-[2-(furan-2-ylmethoxy)ethoxy]ethoxy]ethyl 2-diazoacetate.
What is the SMILES notation for 2-[2-[2-(furan-2-ylmethoxy)ethoxy]ethoxy]ethyl 2-diazoacetate?
The canonical SMILES for 2-[2-[2-(furan-2-ylmethoxy)ethoxy]ethoxy]ethyl 2-diazoacetate is [N-]=[N+]=CC(=O)OCCOCCOCCOCc1ccco1.
What is the InChIKey of 2-[2-[2-(furan-2-ylmethoxy)ethoxy]ethoxy]ethyl 2-diazoacetate?
The InChIKey is BHIYXPKXILGILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O6/c14-15-10-13(16)21-9-8-18-5-4-17-6-7-19-11-12-2-1-3-20-12/h1-3,10H,4-9,11H2.
What are the key properties of 2-[2-[2-(furan-2-ylmethoxy)ethoxy]ethoxy]ethyl 2-diazoacetate?
2-[2-[2-(furan-2-ylmethoxy)ethoxy]ethoxy]ethyl 2-diazoacetate has a molecular weight of 298.29 g/mol, XLogP of 0.67, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(furan-2-ylmethoxy)ethoxy]ethoxy]ethyl 2-diazoacetate is sourced from PubChem (CID 101049735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).