5-[2-[2-[2-[2-[2-[(1,3-dioxo-2-benzofuran-5-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-benzofuran-1,3-dione

C26H26O12 — CID 101165198

IUPAC5-[2-[2-[2-[2-[2-[(1,3-dioxo-2-benzofuran-5-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-benzofuran-1,3-dione
SMILESO=C1OC(=O)c2cc(OCCOCCOCCOCCOCCOc3ccc4c(c3)C(=O)OC4=O)ccc21
InChIInChI=1S/C26H26O12/c27-23-19-3-1-17(15-21(19)25(29)37-23)35-13-11-33-9-7-31-5-6-32-8-10-34-12-14-36-18-2-4-20-22(16-18)26(30)38-24(20)28/h1-4,15-16H,5-14H2
InChIKeyISTGHXBYDWKCHJ-UHFFFAOYSA-N
MW530.48 g/mol
LogP1.83
Rot. Bonds17

About 5-[2-[2-[2-[2-[2-[(1,3-dioxo-2-benzofuran-5-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-benzofuran-1,3-dione

5-[2-[2-[2-[2-[2-[(1,3-dioxo-2-benzofuran-5-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-benzofuran-1,3-dione (PubChem CID 101165198) has the molecular formula C26H26O12 and a molecular weight of 530.48 g/mol. Its IUPAC name is 5-[2-[2-[2-[2-[2-[(1,3-dioxo-2-benzofuran-5-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-benzofuran-1,3-dione.

Molecular Properties

Compound Name5-[2-[2-[2-[2-[2-[(1,3-dioxo-2-benzofuran-5-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-benzofuran-1,3-dione
PubChem CID101165198
Molecular FormulaC26H26O12
Molecular Weight530.48 g/mol
Exact Mass530.14
IUPAC Name5-[2-[2-[2-[2-[2-[(1,3-dioxo-2-benzofuran-5-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-benzofuran-1,3-dione
SMILESO=C1OC(=O)c2cc(OCCOCCOCCOCCOCCOc3ccc4c(c3)C(=O)OC4=O)ccc21
InChIInChI=1S/C26H26O12/c27-23-19-3-1-17(15-21(19)25(29)37-23)35-13-11-33-9-7-31-5-6-32-8-10-34-12-14-36-18-2-4-20-22(16-18)26(30)38-24(20)28/h1-4,15-16H,5-14H2
InChIKeyISTGHXBYDWKCHJ-UHFFFAOYSA-N
XLogP1.83
TPSA142.12 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds17
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.48
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

5-propoxy-2-benzofuran-1,3-dione
CID 139672196
5-hexoxy-2-benzofuran-1,3-dione
CID 88840475
5-(2-methylpropoxy)-2-benzofuran-1,3-dione
CID 139672228
2,7-bis[2-[2-(2-chloroethoxy)ethoxy]ethoxy]fluoren-9-one
CID 6420971
hydron;5-(oxiran-2-ylmethoxy)-2-benzofuran-1,3-dione
CID 174669701
2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]anthracene-9,10-dione
CID 22315906
(1,3-dioxo-2-benzofuran-5-yl) formate
CID 58151859
2-benzofuran-1,3-dione;1,3-dioxo-2-benzofuran-5-carboxylic acid;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 88695752
5-(2,6-dimethylphenoxy)-2-benzofuran-1,3-dione
CID 14617994
6-(2-propoxyethoxy)-1-benzofuran-3-one
CID 106452922
5-(3-phenylpentan-3-yloxy)-2-benzofuran-1,3-dione
CID 142393882
6-[2-(2,2,2-trifluoroethoxy)ethoxy]-1-benzofuran-3-one
CID 63097111

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-[2-[2-[2-[(1,3-dioxo-2-benzofuran-5-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-benzofuran-1,3-dione?
The IUPAC name of 5-[2-[2-[2-[2-[2-[(1,3-dioxo-2-benzofuran-5-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-benzofuran-1,3-dione (CID 101165198) is 5-[2-[2-[2-[2-[2-[(1,3-dioxo-2-benzofuran-5-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-benzofuran-1,3-dione.
What is the SMILES notation for 5-[2-[2-[2-[2-[2-[(1,3-dioxo-2-benzofuran-5-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-benzofuran-1,3-dione?
The canonical SMILES for 5-[2-[2-[2-[2-[2-[(1,3-dioxo-2-benzofuran-5-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-benzofuran-1,3-dione is O=C1OC(=O)c2cc(OCCOCCOCCOCCOCCOc3ccc4c(c3)C(=O)OC4=O)ccc21.
What is the InChIKey of 5-[2-[2-[2-[2-[2-[(1,3-dioxo-2-benzofuran-5-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-benzofuran-1,3-dione?
The InChIKey is ISTGHXBYDWKCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26O12/c27-23-19-3-1-17(15-21(19)25(29)37-23)35-13-11-33-9-7-31-5-6-32-8-10-34-12-14-36-18-2-4-20-22(16-18)26(30)38-24(20)28/h1-4,15-16H,5-14H2.
What are the key properties of 5-[2-[2-[2-[2-[2-[(1,3-dioxo-2-benzofuran-5-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-benzofuran-1,3-dione?
5-[2-[2-[2-[2-[2-[(1,3-dioxo-2-benzofuran-5-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-benzofuran-1,3-dione has a molecular weight of 530.48 g/mol, XLogP of 1.83, 17 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-[2-[2-[2-[(1,3-dioxo-2-benzofuran-5-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-benzofuran-1,3-dione is sourced from PubChem (CID 101165198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).