23-methylidene-7,24-dioxahexacyclo[18.7.0.03,11.05,9.013,18.022,26]heptacosa-1(27),3,5(9),10,13,15,17,20,22(26)-nonaene-6,8,25-trione

C26H16O5 — CID 123358491

IUPAC23-methylidene-7,24-dioxahexacyclo[18.7.0.03,11.05,9.013,18.022,26]heptacosa-1(27),3,5(9),10,13,15,17,20,22(26)-nonaene-6,8,25-trione
SMILESC=C1OC(=O)c2cc3c(cc21)Cc1ccccc1Cc1cc2c(cc1C3)C(=O)OC2=O
InChIInChI=1S/C26H16O5/c1-13-20-9-16-6-14-4-2-3-5-15(14)7-17-11-22-23(26(29)31-25(22)28)12-19(17)8-18(16)10-21(20)24(27)30-13/h2-5,9-12H,1,6-8H2
InChIKeyDSJOCNPNJJYSMO-UHFFFAOYSA-N
MW408.41 g/mol
LogP4.22
Rot. Bonds

About 23-methylidene-7,24-dioxahexacyclo[18.7.0.03,11.05,9.013,18.022,26]heptacosa-1(27),3,5(9),10,13,15,17,20,22(26)-nonaene-6,8,25-trione

23-methylidene-7,24-dioxahexacyclo[18.7.0.03,11.05,9.013,18.022,26]heptacosa-1(27),3,5(9),10,13,15,17,20,22(26)-nonaene-6,8,25-trione (PubChem CID 123358491) has the molecular formula C26H16O5 and a molecular weight of 408.41 g/mol. Its IUPAC name is 23-methylidene-7,24-dioxahexacyclo[18.7.0.03,11.05,9.013,18.022,26]heptacosa-1(27),3,5(9),10,13,15,17,20,22(26)-nonaene-6,8,25-trione.

Molecular Properties

Compound Name23-methylidene-7,24-dioxahexacyclo[18.7.0.03,11.05,9.013,18.022,26]heptacosa-1(27),3,5(9),10,13,15,17,20,22(26)-nonaene-6,8,25-trione
PubChem CID123358491
Molecular FormulaC26H16O5
Molecular Weight408.41 g/mol
Exact Mass408.10
IUPAC Name23-methylidene-7,24-dioxahexacyclo[18.7.0.03,11.05,9.013,18.022,26]heptacosa-1(27),3,5(9),10,13,15,17,20,22(26)-nonaene-6,8,25-trione
SMILESC=C1OC(=O)c2cc3c(cc21)Cc1ccccc1Cc1cc2c(cc1C3)C(=O)OC2=O
InChIInChI=1S/C26H16O5/c1-13-20-9-16-6-14-4-2-3-5-15(14)7-17-11-22-23(26(29)31-25(22)28)12-19(17)8-18(16)10-21(20)24(27)30-13/h2-5,9-12H,1,6-8H2
InChIKeyDSJOCNPNJJYSMO-UHFFFAOYSA-N
XLogP4.22
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.41
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 23-methylidene-7,24-dioxahexacyclo[18.7.0.03,11.05,9.013,18.022,26]heptacosa-1(27),3,5(9),10,13,15,17,20,22(26)-nonaene-6,8,25-trione with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 23-methylidene-7,24-dioxahexacyclo[18.7.0.03,11.05,9.013,18.022,26]heptacosa-1(27),3,5(9),10,13,15,17,20,22(26)-nonaene-6,8,25-trione?
The IUPAC name of 23-methylidene-7,24-dioxahexacyclo[18.7.0.03,11.05,9.013,18.022,26]heptacosa-1(27),3,5(9),10,13,15,17,20,22(26)-nonaene-6,8,25-trione (CID 123358491) is 23-methylidene-7,24-dioxahexacyclo[18.7.0.03,11.05,9.013,18.022,26]heptacosa-1(27),3,5(9),10,13,15,17,20,22(26)-nonaene-6,8,25-trione.
What is the SMILES notation for 23-methylidene-7,24-dioxahexacyclo[18.7.0.03,11.05,9.013,18.022,26]heptacosa-1(27),3,5(9),10,13,15,17,20,22(26)-nonaene-6,8,25-trione?
The canonical SMILES for 23-methylidene-7,24-dioxahexacyclo[18.7.0.03,11.05,9.013,18.022,26]heptacosa-1(27),3,5(9),10,13,15,17,20,22(26)-nonaene-6,8,25-trione is C=C1OC(=O)c2cc3c(cc21)Cc1ccccc1Cc1cc2c(cc1C3)C(=O)OC2=O.
What is the InChIKey of 23-methylidene-7,24-dioxahexacyclo[18.7.0.03,11.05,9.013,18.022,26]heptacosa-1(27),3,5(9),10,13,15,17,20,22(26)-nonaene-6,8,25-trione?
The InChIKey is DSJOCNPNJJYSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16O5/c1-13-20-9-16-6-14-4-2-3-5-15(14)7-17-11-22-23(26(29)31-25(22)28)12-19(17)8-18(16)10-21(20)24(27)30-13/h2-5,9-12H,1,6-8H2.
What are the key properties of 23-methylidene-7,24-dioxahexacyclo[18.7.0.03,11.05,9.013,18.022,26]heptacosa-1(27),3,5(9),10,13,15,17,20,22(26)-nonaene-6,8,25-trione?
23-methylidene-7,24-dioxahexacyclo[18.7.0.03,11.05,9.013,18.022,26]heptacosa-1(27),3,5(9),10,13,15,17,20,22(26)-nonaene-6,8,25-trione has a molecular weight of 408.41 g/mol, XLogP of 4.22, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 23-methylidene-7,24-dioxahexacyclo[18.7.0.03,11.05,9.013,18.022,26]heptacosa-1(27),3,5(9),10,13,15,17,20,22(26)-nonaene-6,8,25-trione is sourced from PubChem (CID 123358491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).