6,19-dioxadecacyclo[25.5.2.02,10.04,8.011,31.014,30.015,23.017,21.024,29.028,32]tetratriaconta-1,10,12,14,23,25,27,29,31,33-decaene-5,7,18,20-tetrone

C32H18O6 — CID 102012606

IUPAC6,19-dioxadecacyclo[25.5.2.02,10.04,8.011,31.014,30.015,23.017,21.024,29.028,32]tetratriaconta-1,10,12,14,23,25,27,29,31,33-decaene-5,7,18,20-tetrone
SMILESO=C1OC(=O)C2Cc3c(c4ccc5ccc6c7c(c8ccc3c3c4c5c6c83)CC3C(=O)OC(=O)C3C7)CC12
InChIInChI=1S/C32H18O6/c33-29-20-7-16-12-3-1-11-2-4-13-17-8-21-23(32(36)38-30(21)34)10-19(17)15-6-5-14(18(16)9-22(20)31(35)37-29)27-25(12)24(11)26(13)28(15)27/h1-6,20-23H,7-10H2
InChIKeyDLYUDUZLUUYJDW-UHFFFAOYSA-N
MW498.49 g/mol
LogP4.59
Rot. Bonds

About 6,19-dioxadecacyclo[25.5.2.02,10.04,8.011,31.014,30.015,23.017,21.024,29.028,32]tetratriaconta-1,10,12,14,23,25,27,29,31,33-decaene-5,7,18,20-tetrone

6,19-dioxadecacyclo[25.5.2.02,10.04,8.011,31.014,30.015,23.017,21.024,29.028,32]tetratriaconta-1,10,12,14,23,25,27,29,31,33-decaene-5,7,18,20-tetrone (PubChem CID 102012606) has the molecular formula C32H18O6 and a molecular weight of 498.49 g/mol. Its IUPAC name is 6,19-dioxadecacyclo[25.5.2.02,10.04,8.011,31.014,30.015,23.017,21.024,29.028,32]tetratriaconta-1,10,12,14,23,25,27,29,31,33-decaene-5,7,18,20-tetrone.

Molecular Properties

Compound Name6,19-dioxadecacyclo[25.5.2.02,10.04,8.011,31.014,30.015,23.017,21.024,29.028,32]tetratriaconta-1,10,12,14,23,25,27,29,31,33-decaene-5,7,18,20-tetrone
PubChem CID102012606
Molecular FormulaC32H18O6
Molecular Weight498.49 g/mol
Exact Mass498.11
IUPAC Name6,19-dioxadecacyclo[25.5.2.02,10.04,8.011,31.014,30.015,23.017,21.024,29.028,32]tetratriaconta-1,10,12,14,23,25,27,29,31,33-decaene-5,7,18,20-tetrone
SMILESO=C1OC(=O)C2Cc3c(c4ccc5ccc6c7c(c8ccc3c3c4c5c6c83)CC3C(=O)OC(=O)C3C7)CC12
InChIInChI=1S/C32H18O6/c33-29-20-7-16-12-3-1-11-2-4-13-17-8-21-23(32(36)38-30(21)34)10-19(17)15-6-5-14(18(16)9-22(20)31(35)37-29)27-25(12)24(11)26(13)28(15)27/h1-6,20-23H,7-10H2
InChIKeyDLYUDUZLUUYJDW-UHFFFAOYSA-N
XLogP4.59
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.49
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 6,19-dioxadecacyclo[25.5.2.02,10.04,8.011,31.014,30.015,23.017,21.024,29.028,32]tetratriaconta-1,10,12,14,23,25,27,29,31,33-decaene-5,7,18,20-tetrone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,19-dioxadecacyclo[25.5.2.02,10.04,8.011,31.014,30.015,23.017,21.024,29.028,32]tetratriaconta-1,10,12,14,23,25,27,29,31,33-decaene-5,7,18,20-tetrone?
The IUPAC name of 6,19-dioxadecacyclo[25.5.2.02,10.04,8.011,31.014,30.015,23.017,21.024,29.028,32]tetratriaconta-1,10,12,14,23,25,27,29,31,33-decaene-5,7,18,20-tetrone (CID 102012606) is 6,19-dioxadecacyclo[25.5.2.02,10.04,8.011,31.014,30.015,23.017,21.024,29.028,32]tetratriaconta-1,10,12,14,23,25,27,29,31,33-decaene-5,7,18,20-tetrone.
What is the SMILES notation for 6,19-dioxadecacyclo[25.5.2.02,10.04,8.011,31.014,30.015,23.017,21.024,29.028,32]tetratriaconta-1,10,12,14,23,25,27,29,31,33-decaene-5,7,18,20-tetrone?
The canonical SMILES for 6,19-dioxadecacyclo[25.5.2.02,10.04,8.011,31.014,30.015,23.017,21.024,29.028,32]tetratriaconta-1,10,12,14,23,25,27,29,31,33-decaene-5,7,18,20-tetrone is O=C1OC(=O)C2Cc3c(c4ccc5ccc6c7c(c8ccc3c3c4c5c6c83)CC3C(=O)OC(=O)C3C7)CC12.
What is the InChIKey of 6,19-dioxadecacyclo[25.5.2.02,10.04,8.011,31.014,30.015,23.017,21.024,29.028,32]tetratriaconta-1,10,12,14,23,25,27,29,31,33-decaene-5,7,18,20-tetrone?
The InChIKey is DLYUDUZLUUYJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H18O6/c33-29-20-7-16-12-3-1-11-2-4-13-17-8-21-23(32(36)38-30(21)34)10-19(17)15-6-5-14(18(16)9-22(20)31(35)37-29)27-25(12)24(11)26(13)28(15)27/h1-6,20-23H,7-10H2.
What are the key properties of 6,19-dioxadecacyclo[25.5.2.02,10.04,8.011,31.014,30.015,23.017,21.024,29.028,32]tetratriaconta-1,10,12,14,23,25,27,29,31,33-decaene-5,7,18,20-tetrone?
6,19-dioxadecacyclo[25.5.2.02,10.04,8.011,31.014,30.015,23.017,21.024,29.028,32]tetratriaconta-1,10,12,14,23,25,27,29,31,33-decaene-5,7,18,20-tetrone has a molecular weight of 498.49 g/mol, XLogP of 4.59, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,19-dioxadecacyclo[25.5.2.02,10.04,8.011,31.014,30.015,23.017,21.024,29.028,32]tetratriaconta-1,10,12,14,23,25,27,29,31,33-decaene-5,7,18,20-tetrone is sourced from PubChem (CID 102012606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).