4,9-dioxaheptacyclo[12.10.2.02,6.07,26.011,16.015,20.021,25]hexacosa-1(24),2(6),7(26),11,13,15(20),16,18,21(25),22-decaene-3,5,8,10-tetrone

C24H8O6 — CID 56622055

IUPAC4,9-dioxaheptacyclo[12.10.2.02,6.07,26.011,16.015,20.021,25]hexacosa-1(24),2(6),7(26),11,13,15(20),16,18,21(25),22-decaene-3,5,8,10-tetrone
SMILESO=c1oc(=O)c2c3c(=O)oc(=O)c3c3cccc4c5cccc6c1ccc(c65)c2c43
InChIInChI=1S/C24H8O6/c25-21-12-7-8-14-15-9(3-1-5-11(12)15)10-4-2-6-13-16(10)17(14)19(23(27)29-21)20-18(13)22(26)30-24(20)28/h1-8H
InChIKeyCTEQBXBONPMABN-UHFFFAOYSA-N
MW392.32 g/mol
LogP3.55
Rot. Bonds

About 4,9-dioxaheptacyclo[12.10.2.02,6.07,26.011,16.015,20.021,25]hexacosa-1(24),2(6),7(26),11,13,15(20),16,18,21(25),22-decaene-3,5,8,10-tetrone

4,9-dioxaheptacyclo[12.10.2.02,6.07,26.011,16.015,20.021,25]hexacosa-1(24),2(6),7(26),11,13,15(20),16,18,21(25),22-decaene-3,5,8,10-tetrone (PubChem CID 56622055) has the molecular formula C24H8O6 and a molecular weight of 392.32 g/mol. Its IUPAC name is 4,9-dioxaheptacyclo[12.10.2.02,6.07,26.011,16.015,20.021,25]hexacosa-1(24),2(6),7(26),11,13,15(20),16,18,21(25),22-decaene-3,5,8,10-tetrone.

Molecular Properties

Compound Name4,9-dioxaheptacyclo[12.10.2.02,6.07,26.011,16.015,20.021,25]hexacosa-1(24),2(6),7(26),11,13,15(20),16,18,21(25),22-decaene-3,5,8,10-tetrone
PubChem CID56622055
Molecular FormulaC24H8O6
Molecular Weight392.32 g/mol
Exact Mass392.03
IUPAC Name4,9-dioxaheptacyclo[12.10.2.02,6.07,26.011,16.015,20.021,25]hexacosa-1(24),2(6),7(26),11,13,15(20),16,18,21(25),22-decaene-3,5,8,10-tetrone
SMILESO=c1oc(=O)c2c3c(=O)oc(=O)c3c3cccc4c5cccc6c1ccc(c65)c2c43
InChIInChI=1S/C24H8O6/c25-21-12-7-8-14-15-9(3-1-5-11(12)15)10-4-2-6-13-16(10)17(14)19(23(27)29-21)20-18(13)22(26)30-24(20)28/h1-8H
InChIKeyCTEQBXBONPMABN-UHFFFAOYSA-N
XLogP3.55
TPSA94.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.32
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 4,9-dioxaheptacyclo[12.10.2.02,6.07,26.011,16.015,20.021,25]hexacosa-1(24),2(6),7(26),11,13,15(20),16,18,21(25),22-decaene-3,5,8,10-tetrone with MolForge

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Related Compounds

4,9-dioxapentacyclo[10.8.0.02,6.07,11.013,18]icosa-1(12),2(6),7(11),13,15,17,19-heptaene-3,5,8,10-tetrone
CID 90856878
8,17-dioxaheptacyclo[22.6.6.02,7.010,15.018,23.025,30.031,36]hexatriaconta-1(31),2,4,6,10,12,14,18,20,22,24(36),25,27,29,32,34-hexadecaene-9,16-dione
CID 59760668
7,17-diphenyl-4,14-dioxahexacyclo[9.9.2.02,6.08,21.012,16.018,22]docosa-1(21),2(6),7,9,11(22),12(16),17,19-octaene-3,5,13,15-tetrone
CID 56632747
benzo[d][2]benzoxepine-5,7-dione;ethane
CID 90954476
7-methoxy-4-oxahexacyclo[12.12.0.02,11.05,10.015,20.021,26]hexacosa-1(14),2(11),5(10),6,8,12,15,17,19,21,23,25-dodecaen-3-one
CID 118617499
heptadecacyclo[36.16.0.02,7.06,15.08,37.09,14.010,35.011,28.012,25.013,18.019,24.029,34.033,42.036,41.039,52.040,45.046,51]tetrapentaconta-1,3,5,7,9,11(28),12(25),13(18),14,16,19,21,23,26,29,31,33(42),34,36(41),37,39(52),40(45),43,46,48,50,53-heptacosaene
CID 11814412
octacyclo[13.13.0.02,7.03,27.09,14.013,17.016,21.023,28]octacosa-1(15),2,4,6,9,11,13,16,18,20,23,25,27-tridecaene-8,22-dione
CID 146168507
disodium;8,19-dioxo-7,18-dioxaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1,3(12),4(9),5,10,13(23),14,16,20(24),21,25-undecaene-6,17-diolate
CID 132609901
heptacyclo[15.11.0.02,10.04,9.011,16.018,26.020,25]octacosa-1(17),2(10),4,6,8,11,13,15,18(26),20,22,24,27-tridecaene-3,19-dione
CID 137432761
4-(4-phenylphenyl)furo[3,4-e][2]benzofuran-1,3,6,8-tetrone
CID 56627383
undecacyclo[30.6.2.02,7.08,37.09,14.015,36.018,35.019,24.025,34.026,31.033,38]tetraconta-1(38),2,4,6,8(37),9,11,13,15(36),16,18(35),19,21,23,25(34),26,28,30,32,39-icosaene
CID 21083049
decacyclo[19.13.1.122,26.02,7.03,20.04,17.05,14.06,11.031,35.030,36]hexatriaconta-1(34),2,4(17),5(14),6(11),7,9,12,15,18,20,22,24,26(36),27,29,31(35),32-octadecaene
CID 14087516

Frequently Asked Questions

What is the IUPAC name of 4,9-dioxaheptacyclo[12.10.2.02,6.07,26.011,16.015,20.021,25]hexacosa-1(24),2(6),7(26),11,13,15(20),16,18,21(25),22-decaene-3,5,8,10-tetrone?
The IUPAC name of 4,9-dioxaheptacyclo[12.10.2.02,6.07,26.011,16.015,20.021,25]hexacosa-1(24),2(6),7(26),11,13,15(20),16,18,21(25),22-decaene-3,5,8,10-tetrone (CID 56622055) is 4,9-dioxaheptacyclo[12.10.2.02,6.07,26.011,16.015,20.021,25]hexacosa-1(24),2(6),7(26),11,13,15(20),16,18,21(25),22-decaene-3,5,8,10-tetrone.
What is the SMILES notation for 4,9-dioxaheptacyclo[12.10.2.02,6.07,26.011,16.015,20.021,25]hexacosa-1(24),2(6),7(26),11,13,15(20),16,18,21(25),22-decaene-3,5,8,10-tetrone?
The canonical SMILES for 4,9-dioxaheptacyclo[12.10.2.02,6.07,26.011,16.015,20.021,25]hexacosa-1(24),2(6),7(26),11,13,15(20),16,18,21(25),22-decaene-3,5,8,10-tetrone is O=c1oc(=O)c2c3c(=O)oc(=O)c3c3cccc4c5cccc6c1ccc(c65)c2c43.
What is the InChIKey of 4,9-dioxaheptacyclo[12.10.2.02,6.07,26.011,16.015,20.021,25]hexacosa-1(24),2(6),7(26),11,13,15(20),16,18,21(25),22-decaene-3,5,8,10-tetrone?
The InChIKey is CTEQBXBONPMABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H8O6/c25-21-12-7-8-14-15-9(3-1-5-11(12)15)10-4-2-6-13-16(10)17(14)19(23(27)29-21)20-18(13)22(26)30-24(20)28/h1-8H.
What are the key properties of 4,9-dioxaheptacyclo[12.10.2.02,6.07,26.011,16.015,20.021,25]hexacosa-1(24),2(6),7(26),11,13,15(20),16,18,21(25),22-decaene-3,5,8,10-tetrone?
4,9-dioxaheptacyclo[12.10.2.02,6.07,26.011,16.015,20.021,25]hexacosa-1(24),2(6),7(26),11,13,15(20),16,18,21(25),22-decaene-3,5,8,10-tetrone has a molecular weight of 392.32 g/mol, XLogP of 3.55, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,9-dioxaheptacyclo[12.10.2.02,6.07,26.011,16.015,20.021,25]hexacosa-1(24),2(6),7(26),11,13,15(20),16,18,21(25),22-decaene-3,5,8,10-tetrone is sourced from PubChem (CID 56622055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).