azane;7-prop-2-enyl-4-[(7-prop-2-enyl-2,3-dihydro-1-benzofuran-4-yl)oxy]-2,3-dihydro-1-benzofuran;sulfuric acid

C22H30N2O7S — CID 173246286

IUPACazane;7-prop-2-enyl-4-[(7-prop-2-enyl-2,3-dihydro-1-benzofuran-4-yl)oxy]-2,3-dihydro-1-benzofuran;sulfuric acid
SMILESC=CCc1ccc(Oc2ccc(CC=C)c3c2CCO3)c2c1OCC2.N.N.O=S(=O)(O)O
InChIInChI=1S/C22H22O3.2H3N.H2O4S/c1-3-5-15-7-9-19(17-11-13-23-21(15)17)25-20-10-8-16(6-4-2)22-18(20)12-14-24-22;;;1-5(2,3)4/h3-4,7-10H,1-2,5-6,11-14H2;2*1H3;(H2,1,2,3,4)
InChIKeyVEKWGNMQHGXMJC-UHFFFAOYSA-N
MW466.56 g/mol
LogP4.48
Rot. Bonds6

About azane;7-prop-2-enyl-4-[(7-prop-2-enyl-2,3-dihydro-1-benzofuran-4-yl)oxy]-2,3-dihydro-1-benzofuran;sulfuric acid

azane;7-prop-2-enyl-4-[(7-prop-2-enyl-2,3-dihydro-1-benzofuran-4-yl)oxy]-2,3-dihydro-1-benzofuran;sulfuric acid (PubChem CID 173246286) has the molecular formula C22H30N2O7S and a molecular weight of 466.56 g/mol. Its IUPAC name is azane;7-prop-2-enyl-4-[(7-prop-2-enyl-2,3-dihydro-1-benzofuran-4-yl)oxy]-2,3-dihydro-1-benzofuran;sulfuric acid.

Molecular Properties

Compound Nameazane;7-prop-2-enyl-4-[(7-prop-2-enyl-2,3-dihydro-1-benzofuran-4-yl)oxy]-2,3-dihydro-1-benzofuran;sulfuric acid
PubChem CID173246286
Molecular FormulaC22H30N2O7S
Molecular Weight466.56 g/mol
Exact Mass466.18
IUPAC Nameazane;7-prop-2-enyl-4-[(7-prop-2-enyl-2,3-dihydro-1-benzofuran-4-yl)oxy]-2,3-dihydro-1-benzofuran;sulfuric acid
SMILESC=CCc1ccc(Oc2ccc(CC=C)c3c2CCO3)c2c1OCC2.N.N.O=S(=O)(O)O
InChIInChI=1S/C22H22O3.2H3N.H2O4S/c1-3-5-15-7-9-19(17-11-13-23-21(15)17)25-20-10-8-16(6-4-2)22-18(20)12-14-24-22;;;1-5(2,3)4/h3-4,7-10H,1-2,5-6,11-14H2;2*1H3;(H2,1,2,3,4)
InChIKeyVEKWGNMQHGXMJC-UHFFFAOYSA-N
XLogP4.48
TPSA172.29 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.56
LogP ≤ 54.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of azane;7-prop-2-enyl-4-[(7-prop-2-enyl-2,3-dihydro-1-benzofuran-4-yl)oxy]-2,3-dihydro-1-benzofuran;sulfuric acid?
The IUPAC name of azane;7-prop-2-enyl-4-[(7-prop-2-enyl-2,3-dihydro-1-benzofuran-4-yl)oxy]-2,3-dihydro-1-benzofuran;sulfuric acid (CID 173246286) is azane;7-prop-2-enyl-4-[(7-prop-2-enyl-2,3-dihydro-1-benzofuran-4-yl)oxy]-2,3-dihydro-1-benzofuran;sulfuric acid.
What is the SMILES notation for azane;7-prop-2-enyl-4-[(7-prop-2-enyl-2,3-dihydro-1-benzofuran-4-yl)oxy]-2,3-dihydro-1-benzofuran;sulfuric acid?
The canonical SMILES for azane;7-prop-2-enyl-4-[(7-prop-2-enyl-2,3-dihydro-1-benzofuran-4-yl)oxy]-2,3-dihydro-1-benzofuran;sulfuric acid is C=CCc1ccc(Oc2ccc(CC=C)c3c2CCO3)c2c1OCC2.N.N.O=S(=O)(O)O.
What is the InChIKey of azane;7-prop-2-enyl-4-[(7-prop-2-enyl-2,3-dihydro-1-benzofuran-4-yl)oxy]-2,3-dihydro-1-benzofuran;sulfuric acid?
The InChIKey is VEKWGNMQHGXMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O3.2H3N.H2O4S/c1-3-5-15-7-9-19(17-11-13-23-21(15)17)25-20-10-8-16(6-4-2)22-18(20)12-14-24-22;;;1-5(2,3)4/h3-4,7-10H,1-2,5-6,11-14H2;2*1H3;(H2,1,2,3,4).
What are the key properties of azane;7-prop-2-enyl-4-[(7-prop-2-enyl-2,3-dihydro-1-benzofuran-4-yl)oxy]-2,3-dihydro-1-benzofuran;sulfuric acid?
azane;7-prop-2-enyl-4-[(7-prop-2-enyl-2,3-dihydro-1-benzofuran-4-yl)oxy]-2,3-dihydro-1-benzofuran;sulfuric acid has a molecular weight of 466.56 g/mol, XLogP of 4.48, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for azane;7-prop-2-enyl-4-[(7-prop-2-enyl-2,3-dihydro-1-benzofuran-4-yl)oxy]-2,3-dihydro-1-benzofuran;sulfuric acid is sourced from PubChem (CID 173246286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).