2-[[1,1-bis(furan-2-ylmethoxy)-2-nitroethoxy]methyl]furan

C17H17NO8 — CID 11245419

IUPAC2-[[1,1-bis(furan-2-ylmethoxy)-2-nitroethoxy]methyl]furan
SMILESO=[N+]([O-])CC(OCc1ccco1)(OCc1ccco1)OCc1ccco1
InChIInChI=1S/C17H17NO8/c19-18(20)13-17(24-10-14-4-1-7-21-14,25-11-15-5-2-8-22-15)26-12-16-6-3-9-23-16/h1-9H,10-13H2
InChIKeyXHBYJFKNUMLOKO-UHFFFAOYSA-N
MW363.32 g/mol
LogP3.35
Rot. Bonds11

About 2-[[1,1-bis(furan-2-ylmethoxy)-2-nitroethoxy]methyl]furan

2-[[1,1-bis(furan-2-ylmethoxy)-2-nitroethoxy]methyl]furan (PubChem CID 11245419) has the molecular formula C17H17NO8 and a molecular weight of 363.32 g/mol. Its IUPAC name is 2-[[1,1-bis(furan-2-ylmethoxy)-2-nitroethoxy]methyl]furan.

Molecular Properties

Compound Name2-[[1,1-bis(furan-2-ylmethoxy)-2-nitroethoxy]methyl]furan
PubChem CID11245419
Molecular FormulaC17H17NO8
Molecular Weight363.32 g/mol
Exact Mass363.10
IUPAC Name2-[[1,1-bis(furan-2-ylmethoxy)-2-nitroethoxy]methyl]furan
SMILESO=[N+]([O-])CC(OCc1ccco1)(OCc1ccco1)OCc1ccco1
InChIInChI=1S/C17H17NO8/c19-18(20)13-17(24-10-14-4-1-7-21-14,25-11-15-5-2-8-22-15)26-12-16-6-3-9-23-16/h1-9H,10-13H2
InChIKeyXHBYJFKNUMLOKO-UHFFFAOYSA-N
XLogP3.35
TPSA110.25 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.32
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(ethylperoxymethyl)furan
CID 175094388
2-(furan-2-ylmethoxy)-2-methylpropan-1-amine
CID 62355609
furan-2-ylmethoxysilane
CID 130768813
2-(2-nitropropyl)furan
CID 14929135
ethane;2-(methoxymethyl)furan
CID 143640700
2-[2-[2-[2-[2-(furan-2-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]furan
CID 102488556
bis(furan-2-ylmethoxy)silane
CID 123728899
furan-2-ylmethoxy-hydroxy-oxophosphanium
CID 142804991
2-(furan-2-ylmethoxy)pyrimidine
CID 125483373
1-[5-(furan-2-ylmethoxy)-2-nitrophenyl]ethanone
CID 104613742
2-(fluoromethoxymethyl)furan
CID 143116843
furan-2-ylmethyl prop-2-enoate;hydron
CID 174819627

Frequently Asked Questions

What is the IUPAC name of 2-[[1,1-bis(furan-2-ylmethoxy)-2-nitroethoxy]methyl]furan?
The IUPAC name of 2-[[1,1-bis(furan-2-ylmethoxy)-2-nitroethoxy]methyl]furan (CID 11245419) is 2-[[1,1-bis(furan-2-ylmethoxy)-2-nitroethoxy]methyl]furan.
What is the SMILES notation for 2-[[1,1-bis(furan-2-ylmethoxy)-2-nitroethoxy]methyl]furan?
The canonical SMILES for 2-[[1,1-bis(furan-2-ylmethoxy)-2-nitroethoxy]methyl]furan is O=[N+]([O-])CC(OCc1ccco1)(OCc1ccco1)OCc1ccco1.
What is the InChIKey of 2-[[1,1-bis(furan-2-ylmethoxy)-2-nitroethoxy]methyl]furan?
The InChIKey is XHBYJFKNUMLOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO8/c19-18(20)13-17(24-10-14-4-1-7-21-14,25-11-15-5-2-8-22-15)26-12-16-6-3-9-23-16/h1-9H,10-13H2.
What are the key properties of 2-[[1,1-bis(furan-2-ylmethoxy)-2-nitroethoxy]methyl]furan?
2-[[1,1-bis(furan-2-ylmethoxy)-2-nitroethoxy]methyl]furan has a molecular weight of 363.32 g/mol, XLogP of 3.35, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1,1-bis(furan-2-ylmethoxy)-2-nitroethoxy]methyl]furan is sourced from PubChem (CID 11245419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).