octacyclo[11.9.1.12,9.03,7.04,21.016,23.018,22.012,24]tetracosane

C24H34 — CID 86126159

IUPACoctacyclo[11.9.1.12,9.03,7.04,21.016,23.018,22.012,24]tetracosane
SMILESC1CC2C3CCC4CC5CCC6C7CCC8CC1C2C(C87)C(C43)C56
InChIInChI=1S/C24H34/c1-5-15-16-6-3-13-10-14-4-8-18-17-7-2-12-9-11(1)19(15)23(20(12)17)24(21(13)16)22(14)18/h11-24H,1-10H2
InChIKeyRKFCMSHMGCGBNZ-UHFFFAOYSA-N
MW322.54 g/mol
LogP5.62
Rot. Bonds

About octacyclo[11.9.1.12,9.03,7.04,21.016,23.018,22.012,24]tetracosane

octacyclo[11.9.1.12,9.03,7.04,21.016,23.018,22.012,24]tetracosane (PubChem CID 86126159) has the molecular formula C24H34 and a molecular weight of 322.54 g/mol. Its IUPAC name is octacyclo[11.9.1.12,9.03,7.04,21.016,23.018,22.012,24]tetracosane.

Molecular Properties

Compound Nameoctacyclo[11.9.1.12,9.03,7.04,21.016,23.018,22.012,24]tetracosane
PubChem CID86126159
Molecular FormulaC24H34
Molecular Weight322.54 g/mol
Exact Mass322.27
IUPAC Nameoctacyclo[11.9.1.12,9.03,7.04,21.016,23.018,22.012,24]tetracosane
SMILESC1CC2C3CCC4CC5CCC6C7CCC8CC1C2C(C87)C(C43)C56
InChIInChI=1S/C24H34/c1-5-15-16-6-3-13-10-14-4-8-18-17-7-2-12-9-11(1)19(15)23(20(12)17)24(21(13)16)22(14)18/h11-24H,1-10H2
InChIKeyRKFCMSHMGCGBNZ-UHFFFAOYSA-N
XLogP5.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.54
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of octacyclo[11.9.1.12,9.03,7.04,21.016,23.018,22.012,24]tetracosane?
The IUPAC name of octacyclo[11.9.1.12,9.03,7.04,21.016,23.018,22.012,24]tetracosane (CID 86126159) is octacyclo[11.9.1.12,9.03,7.04,21.016,23.018,22.012,24]tetracosane.
What is the SMILES notation for octacyclo[11.9.1.12,9.03,7.04,21.016,23.018,22.012,24]tetracosane?
The canonical SMILES for octacyclo[11.9.1.12,9.03,7.04,21.016,23.018,22.012,24]tetracosane is C1CC2C3CCC4CC5CCC6C7CCC8CC1C2C(C87)C(C43)C56.
What is the InChIKey of octacyclo[11.9.1.12,9.03,7.04,21.016,23.018,22.012,24]tetracosane?
The InChIKey is RKFCMSHMGCGBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34/c1-5-15-16-6-3-13-10-14-4-8-18-17-7-2-12-9-11(1)19(15)23(20(12)17)24(21(13)16)22(14)18/h11-24H,1-10H2.
What are the key properties of octacyclo[11.9.1.12,9.03,7.04,21.016,23.018,22.012,24]tetracosane?
octacyclo[11.9.1.12,9.03,7.04,21.016,23.018,22.012,24]tetracosane has a molecular weight of 322.54 g/mol, XLogP of 5.62, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for octacyclo[11.9.1.12,9.03,7.04,21.016,23.018,22.012,24]tetracosane is sourced from PubChem (CID 86126159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).