25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene

C24H12O2 — CID 102135646

IUPAC25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene
SMILESc1cc2oc3cccc4c5cccc6oc7cccc(c(c1)c2c34)c7c65
InChIInChI=1S/C24H12O2/c1-5-13-14-6-2-11-19-22(14)24-16(8-4-12-20(24)26-19)15-7-3-10-18-23(15)21(13)17(9-1)25-18/h1-12H/b14-13-,16-15-
InChIKeyIPECSECVCRBJCO-RFIZXXDFSA-N
MW332.36 g/mol
LogP7.23
Rot. Bonds

About 25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene

25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene (PubChem CID 102135646) has the molecular formula C24H12O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene.

Molecular Properties

Compound Name25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene
PubChem CID102135646
Molecular FormulaC24H12O2
Molecular Weight332.36 g/mol
Exact Mass332.08
IUPAC Name25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene
SMILESc1cc2oc3cccc4c5cccc6oc7cccc(c(c1)c2c34)c7c65
InChIInChI=1S/C24H12O2/c1-5-13-14-6-2-11-19-22(14)24-16(8-4-12-20(24)26-19)15-7-3-10-18-23(15)21(13)17(9-1)25-18/h1-12H/b14-13-,16-15-
InChIKeyIPECSECVCRBJCO-RFIZXXDFSA-N
XLogP7.23
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.36
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene?
The IUPAC name of 25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene (CID 102135646) is 25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene.
What is the SMILES notation for 25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene?
The canonical SMILES for 25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene is c1cc2oc3cccc4c5cccc6oc7cccc(c(c1)c2c34)c7c65.
What is the InChIKey of 25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene?
The InChIKey is IPECSECVCRBJCO-RFIZXXDFSA-N. The full InChI is InChI=1S/C24H12O2/c1-5-13-14-6-2-11-19-22(14)24-16(8-4-12-20(24)26-19)15-7-3-10-18-23(15)21(13)17(9-1)25-18/h1-12H/b14-13-,16-15-.
What are the key properties of 25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene?
25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene has a molecular weight of 332.36 g/mol, XLogP of 7.23, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 25,26-dioxaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene is sourced from PubChem (CID 102135646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).