10-iodo-12,17-dioxapentacyclo[16.8.0.02,11.03,8.021,26]hexacosa-1(18),2(11),3,5,7,9,19,21,23,25-decaene

C24H19IO2 — CID 170897008

IUPAC10-iodo-12,17-dioxapentacyclo[16.8.0.02,11.03,8.021,26]hexacosa-1(18),2(11),3,5,7,9,19,21,23,25-decaene
SMILESIc1cc2ccccc2c2c1OCCCCOc1ccc3ccccc3c1-2
InChIInChI=1S/C24H19IO2/c25-20-15-17-8-2-4-10-19(17)23-22-18-9-3-1-7-16(18)11-12-21(22)26-13-5-6-14-27-24(20)23/h1-4,7-12,15H,5-6,13-14H2
InChIKeyIYCDBPOASYTERD-UHFFFAOYSA-N
MW466.32 g/mol
LogP6.82
Rot. Bonds

About 10-iodo-12,17-dioxapentacyclo[16.8.0.02,11.03,8.021,26]hexacosa-1(18),2(11),3,5,7,9,19,21,23,25-decaene

10-iodo-12,17-dioxapentacyclo[16.8.0.02,11.03,8.021,26]hexacosa-1(18),2(11),3,5,7,9,19,21,23,25-decaene (PubChem CID 170897008) has the molecular formula C24H19IO2 and a molecular weight of 466.32 g/mol. Its IUPAC name is 10-iodo-12,17-dioxapentacyclo[16.8.0.02,11.03,8.021,26]hexacosa-1(18),2(11),3,5,7,9,19,21,23,25-decaene.

Molecular Properties

Compound Name10-iodo-12,17-dioxapentacyclo[16.8.0.02,11.03,8.021,26]hexacosa-1(18),2(11),3,5,7,9,19,21,23,25-decaene
PubChem CID170897008
Molecular FormulaC24H19IO2
Molecular Weight466.32 g/mol
Exact Mass466.04
IUPAC Name10-iodo-12,17-dioxapentacyclo[16.8.0.02,11.03,8.021,26]hexacosa-1(18),2(11),3,5,7,9,19,21,23,25-decaene
SMILESIc1cc2ccccc2c2c1OCCCCOc1ccc3ccccc3c1-2
InChIInChI=1S/C24H19IO2/c25-20-15-17-8-2-4-10-19(17)23-22-18-9-3-1-7-16(18)11-12-21(22)26-13-5-6-14-27-24(20)23/h1-4,7-12,15H,5-6,13-14H2
InChIKeyIYCDBPOASYTERD-UHFFFAOYSA-N
XLogP6.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.32
LogP ≤ 56.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 10-iodo-12,17-dioxapentacyclo[16.8.0.02,11.03,8.021,26]hexacosa-1(18),2(11),3,5,7,9,19,21,23,25-decaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-iodo-12,17-dioxapentacyclo[16.8.0.02,11.03,8.021,26]hexacosa-1(18),2(11),3,5,7,9,19,21,23,25-decaene?
The IUPAC name of 10-iodo-12,17-dioxapentacyclo[16.8.0.02,11.03,8.021,26]hexacosa-1(18),2(11),3,5,7,9,19,21,23,25-decaene (CID 170897008) is 10-iodo-12,17-dioxapentacyclo[16.8.0.02,11.03,8.021,26]hexacosa-1(18),2(11),3,5,7,9,19,21,23,25-decaene.
What is the SMILES notation for 10-iodo-12,17-dioxapentacyclo[16.8.0.02,11.03,8.021,26]hexacosa-1(18),2(11),3,5,7,9,19,21,23,25-decaene?
The canonical SMILES for 10-iodo-12,17-dioxapentacyclo[16.8.0.02,11.03,8.021,26]hexacosa-1(18),2(11),3,5,7,9,19,21,23,25-decaene is Ic1cc2ccccc2c2c1OCCCCOc1ccc3ccccc3c1-2.
What is the InChIKey of 10-iodo-12,17-dioxapentacyclo[16.8.0.02,11.03,8.021,26]hexacosa-1(18),2(11),3,5,7,9,19,21,23,25-decaene?
The InChIKey is IYCDBPOASYTERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19IO2/c25-20-15-17-8-2-4-10-19(17)23-22-18-9-3-1-7-16(18)11-12-21(22)26-13-5-6-14-27-24(20)23/h1-4,7-12,15H,5-6,13-14H2.
What are the key properties of 10-iodo-12,17-dioxapentacyclo[16.8.0.02,11.03,8.021,26]hexacosa-1(18),2(11),3,5,7,9,19,21,23,25-decaene?
10-iodo-12,17-dioxapentacyclo[16.8.0.02,11.03,8.021,26]hexacosa-1(18),2(11),3,5,7,9,19,21,23,25-decaene has a molecular weight of 466.32 g/mol, XLogP of 6.82, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-iodo-12,17-dioxapentacyclo[16.8.0.02,11.03,8.021,26]hexacosa-1(18),2(11),3,5,7,9,19,21,23,25-decaene is sourced from PubChem (CID 170897008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).