2,5-bis[2-(furan-2-yl)propan-2-yl]furan;furan;2-[2-(furan-2-yl)propan-2-yl]furan;hydron;propan-2-one

C36H43O7+ — CID 160711810

IUPAC2,5-bis[2-(furan-2-yl)propan-2-yl]furan;furan;2-[2-(furan-2-yl)propan-2-yl]furan;hydron;propan-2-one
SMILESCC(C)(c1ccco1)c1ccc(C(C)(C)c2ccco2)o1.CC(C)(c1ccco1)c1ccco1.CC(C)=O.[H+].c1ccoc1
InChIInChI=1S/C18H20O3.C11H12O2.C4H4O.C3H6O/c1-17(2,13-7-5-11-19-13)15-9-10-16(21-15)18(3,4)14-8-6-12-20-14;1-11(2,9-5-3-7-12-9)10-6-4-8-13-10;1-2-4-5-3-1;1-3(2)4/h5-12H,1-4H3;3-8H,1-2H3;1-4H;1-2H3/p+1
InChIKeyRRYONYBONXNHGP-UHFFFAOYSA-O
MW587.73 g/mol
LogP10.30
Rot. Bonds6

About 2,5-bis[2-(furan-2-yl)propan-2-yl]furan;furan;2-[2-(furan-2-yl)propan-2-yl]furan;hydron;propan-2-one

2,5-bis[2-(furan-2-yl)propan-2-yl]furan;furan;2-[2-(furan-2-yl)propan-2-yl]furan;hydron;propan-2-one (PubChem CID 160711810) has the molecular formula C36H43O7+ and a molecular weight of 587.73 g/mol. Its IUPAC name is 2,5-bis[2-(furan-2-yl)propan-2-yl]furan;furan;2-[2-(furan-2-yl)propan-2-yl]furan;hydron;propan-2-one.

Molecular Properties

Compound Name2,5-bis[2-(furan-2-yl)propan-2-yl]furan;furan;2-[2-(furan-2-yl)propan-2-yl]furan;hydron;propan-2-one
PubChem CID160711810
Molecular FormulaC36H43O7+
Molecular Weight587.73 g/mol
Exact Mass587.30
IUPAC Name2,5-bis[2-(furan-2-yl)propan-2-yl]furan;furan;2-[2-(furan-2-yl)propan-2-yl]furan;hydron;propan-2-one
SMILESCC(C)(c1ccco1)c1ccc(C(C)(C)c2ccco2)o1.CC(C)(c1ccco1)c1ccco1.CC(C)=O.[H+].c1ccoc1
InChIInChI=1S/C18H20O3.C11H12O2.C4H4O.C3H6O/c1-17(2,13-7-5-11-19-13)15-9-10-16(21-15)18(3,4)14-8-6-12-20-14;1-11(2,9-5-3-7-12-9)10-6-4-8-13-10;1-2-4-5-3-1;1-3(2)4/h5-12H,1-4H3;3-8H,1-2H3;1-4H;1-2H3/p+1
InChIKeyRRYONYBONXNHGP-UHFFFAOYSA-O
XLogP10.30
TPSA95.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.73
LogP ≤ 510.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis[2-(furan-2-yl)propan-2-yl]furan;furan;2-[2-(furan-2-yl)propan-2-yl]furan;hydron;propan-2-one?
The IUPAC name of 2,5-bis[2-(furan-2-yl)propan-2-yl]furan;furan;2-[2-(furan-2-yl)propan-2-yl]furan;hydron;propan-2-one (CID 160711810) is 2,5-bis[2-(furan-2-yl)propan-2-yl]furan;furan;2-[2-(furan-2-yl)propan-2-yl]furan;hydron;propan-2-one.
What is the SMILES notation for 2,5-bis[2-(furan-2-yl)propan-2-yl]furan;furan;2-[2-(furan-2-yl)propan-2-yl]furan;hydron;propan-2-one?
The canonical SMILES for 2,5-bis[2-(furan-2-yl)propan-2-yl]furan;furan;2-[2-(furan-2-yl)propan-2-yl]furan;hydron;propan-2-one is CC(C)(c1ccco1)c1ccc(C(C)(C)c2ccco2)o1.CC(C)(c1ccco1)c1ccco1.CC(C)=O.[H+].c1ccoc1.
What is the InChIKey of 2,5-bis[2-(furan-2-yl)propan-2-yl]furan;furan;2-[2-(furan-2-yl)propan-2-yl]furan;hydron;propan-2-one?
The InChIKey is RRYONYBONXNHGP-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H20O3.C11H12O2.C4H4O.C3H6O/c1-17(2,13-7-5-11-19-13)15-9-10-16(21-15)18(3,4)14-8-6-12-20-14;1-11(2,9-5-3-7-12-9)10-6-4-8-13-10;1-2-4-5-3-1;1-3(2)4/h5-12H,1-4H3;3-8H,1-2H3;1-4H;1-2H3/p+1.
What are the key properties of 2,5-bis[2-(furan-2-yl)propan-2-yl]furan;furan;2-[2-(furan-2-yl)propan-2-yl]furan;hydron;propan-2-one?
2,5-bis[2-(furan-2-yl)propan-2-yl]furan;furan;2-[2-(furan-2-yl)propan-2-yl]furan;hydron;propan-2-one has a molecular weight of 587.73 g/mol, XLogP of 10.30, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis[2-(furan-2-yl)propan-2-yl]furan;furan;2-[2-(furan-2-yl)propan-2-yl]furan;hydron;propan-2-one is sourced from PubChem (CID 160711810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).