8,24-dichloro-3,19-dioxahexacyclo[16.8.0.02,11.04,9.012,17.020,25]hexacosa-1(18),2(11),4(9),5,7,12,14,16,20(25),21,23-undecaene-10,26-dione

C24H10Cl2O4 — CID 148551813

IUPAC8,24-dichloro-3,19-dioxahexacyclo[16.8.0.02,11.04,9.012,17.020,25]hexacosa-1(18),2(11),4(9),5,7,12,14,16,20(25),21,23-undecaene-10,26-dione
SMILESO=c1c2c(Cl)cccc2oc2c1c1ccccc1c1oc3cccc(Cl)c3c(=O)c12
InChIInChI=1S/C24H10Cl2O4/c25-13-7-4-10-16-18(13)21(27)17-11-5-1-2-6-12(11)23-20(24(17)30-16)22(28)19-14(26)8-3-9-15(19)29-23/h1-10H
InChIKeyMTHKUXLZCWJZFY-UHFFFAOYSA-N
MW433.25 g/mol
LogP6.67
Rot. Bonds

About 8,24-dichloro-3,19-dioxahexacyclo[16.8.0.02,11.04,9.012,17.020,25]hexacosa-1(18),2(11),4(9),5,7,12,14,16,20(25),21,23-undecaene-10,26-dione

8,24-dichloro-3,19-dioxahexacyclo[16.8.0.02,11.04,9.012,17.020,25]hexacosa-1(18),2(11),4(9),5,7,12,14,16,20(25),21,23-undecaene-10,26-dione (PubChem CID 148551813) has the molecular formula C24H10Cl2O4 and a molecular weight of 433.25 g/mol. Its IUPAC name is 8,24-dichloro-3,19-dioxahexacyclo[16.8.0.02,11.04,9.012,17.020,25]hexacosa-1(18),2(11),4(9),5,7,12,14,16,20(25),21,23-undecaene-10,26-dione.

Molecular Properties

Compound Name8,24-dichloro-3,19-dioxahexacyclo[16.8.0.02,11.04,9.012,17.020,25]hexacosa-1(18),2(11),4(9),5,7,12,14,16,20(25),21,23-undecaene-10,26-dione
PubChem CID148551813
Molecular FormulaC24H10Cl2O4
Molecular Weight433.25 g/mol
Exact Mass432.00
IUPAC Name8,24-dichloro-3,19-dioxahexacyclo[16.8.0.02,11.04,9.012,17.020,25]hexacosa-1(18),2(11),4(9),5,7,12,14,16,20(25),21,23-undecaene-10,26-dione
SMILESO=c1c2c(Cl)cccc2oc2c1c1ccccc1c1oc3cccc(Cl)c3c(=O)c12
InChIInChI=1S/C24H10Cl2O4/c25-13-7-4-10-16-18(13)21(27)17-11-5-1-2-6-12(11)23-20(24(17)30-16)22(28)19-14(26)8-3-9-15(19)29-23/h1-10H
InChIKeyMTHKUXLZCWJZFY-UHFFFAOYSA-N
XLogP6.67
TPSA60.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.25
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 8,24-dichloro-3,19-dioxahexacyclo[16.8.0.02,11.04,9.012,17.020,25]hexacosa-1(18),2(11),4(9),5,7,12,14,16,20(25),21,23-undecaene-10,26-dione with MolForge

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Related Compounds

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CID 146441792
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CID 89354896
6-bromo-11-chloronaphtho[2,1-b][1]benzofuran
CID 176844288
19-chloro-16-oxahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaene
CID 89348305
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CID 164758681
17-chloro-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 146616841
4-(9-oxoxanthen-4-yl)xanthen-9-one
CID 58280681
5-chloronaphtho[1,2-b][1]benzofuran
CID 163580167
1-bromo-5-chloro-2-methylxanthen-9-one
CID 174940111
6-fluoro-[1]benzofuro[3,2-b]chromen-11-one
CID 132822183
15-chloro-2-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14(19),15,17-nonaene
CID 154727808

Frequently Asked Questions

What is the IUPAC name of 8,24-dichloro-3,19-dioxahexacyclo[16.8.0.02,11.04,9.012,17.020,25]hexacosa-1(18),2(11),4(9),5,7,12,14,16,20(25),21,23-undecaene-10,26-dione?
The IUPAC name of 8,24-dichloro-3,19-dioxahexacyclo[16.8.0.02,11.04,9.012,17.020,25]hexacosa-1(18),2(11),4(9),5,7,12,14,16,20(25),21,23-undecaene-10,26-dione (CID 148551813) is 8,24-dichloro-3,19-dioxahexacyclo[16.8.0.02,11.04,9.012,17.020,25]hexacosa-1(18),2(11),4(9),5,7,12,14,16,20(25),21,23-undecaene-10,26-dione.
What is the SMILES notation for 8,24-dichloro-3,19-dioxahexacyclo[16.8.0.02,11.04,9.012,17.020,25]hexacosa-1(18),2(11),4(9),5,7,12,14,16,20(25),21,23-undecaene-10,26-dione?
The canonical SMILES for 8,24-dichloro-3,19-dioxahexacyclo[16.8.0.02,11.04,9.012,17.020,25]hexacosa-1(18),2(11),4(9),5,7,12,14,16,20(25),21,23-undecaene-10,26-dione is O=c1c2c(Cl)cccc2oc2c1c1ccccc1c1oc3cccc(Cl)c3c(=O)c12.
What is the InChIKey of 8,24-dichloro-3,19-dioxahexacyclo[16.8.0.02,11.04,9.012,17.020,25]hexacosa-1(18),2(11),4(9),5,7,12,14,16,20(25),21,23-undecaene-10,26-dione?
The InChIKey is MTHKUXLZCWJZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H10Cl2O4/c25-13-7-4-10-16-18(13)21(27)17-11-5-1-2-6-12(11)23-20(24(17)30-16)22(28)19-14(26)8-3-9-15(19)29-23/h1-10H.
What are the key properties of 8,24-dichloro-3,19-dioxahexacyclo[16.8.0.02,11.04,9.012,17.020,25]hexacosa-1(18),2(11),4(9),5,7,12,14,16,20(25),21,23-undecaene-10,26-dione?
8,24-dichloro-3,19-dioxahexacyclo[16.8.0.02,11.04,9.012,17.020,25]hexacosa-1(18),2(11),4(9),5,7,12,14,16,20(25),21,23-undecaene-10,26-dione has a molecular weight of 433.25 g/mol, XLogP of 6.67, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8,24-dichloro-3,19-dioxahexacyclo[16.8.0.02,11.04,9.012,17.020,25]hexacosa-1(18),2(11),4(9),5,7,12,14,16,20(25),21,23-undecaene-10,26-dione is sourced from PubChem (CID 148551813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).