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Heptacyclo[14.7.1.02,14.03,11.04,8.05,23.020,24]tetracosane

C24H36 — CID 91257687

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACheptacyclo[14.7.1.02,14.03,11.04,8.05,23.020,24]tetracosane
SMILESC1CC2CCC3C4CCC5CCC6CCC7CC(C1)C2C3C7C6C54
InChIInChI=1S/C24H36/c1-2-13-8-11-19-18-10-9-14-4-5-15-6-7-17-12-16(3-1)20(13)24(19)23(17)22(15)21(14)18/h13-24H,1-12H2
InChIKeyCXMZJUDEZILUCH-UHFFFAOYSA-N
MW324.55 g/mol
LogP6.16
Rot. Bonds

About Heptacyclo[14.7.1.02,14.03,11.04,8.05,23.020,24]tetracosane

Heptacyclo[14.7.1.02,14.03,11.04,8.05,23.020,24]tetracosane (PubChem CID 91257687) has the molecular formula C24H36 and a molecular weight of 324.55 g/mol. Its IUPAC name is heptacyclo[14.7.1.02,14.03,11.04,8.05,23.020,24]tetracosane.

Molecular Properties

Compound NameHeptacyclo[14.7.1.02,14.03,11.04,8.05,23.020,24]tetracosane
PubChem CID91257687
Molecular FormulaC24H36
Molecular Weight324.55 g/mol
Exact Mass324.28
IUPAC Nameheptacyclo[14.7.1.02,14.03,11.04,8.05,23.020,24]tetracosane
SMILESC1CC2CCC3C4CCC5CCC6CCC7CC(C1)C2C3C7C6C54
InChIInChI=1S/C24H36/c1-2-13-8-11-19-18-10-9-14-4-5-15-6-7-17-12-16(3-1)20(13)24(19)23(17)22(15)21(14)18/h13-24H,1-12H2
InChIKeyCXMZJUDEZILUCH-UHFFFAOYSA-N
XLogP6.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.55
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of Heptacyclo[14.7.1.02,14.03,11.04,8.05,23.020,24]tetracosane?
The IUPAC name of Heptacyclo[14.7.1.02,14.03,11.04,8.05,23.020,24]tetracosane (CID 91257687) is heptacyclo[14.7.1.02,14.03,11.04,8.05,23.020,24]tetracosane.
What is the SMILES notation for Heptacyclo[14.7.1.02,14.03,11.04,8.05,23.020,24]tetracosane?
The canonical SMILES for Heptacyclo[14.7.1.02,14.03,11.04,8.05,23.020,24]tetracosane is C1CC2CCC3C4CCC5CCC6CCC7CC(C1)C2C3C7C6C54.
What is the InChIKey of Heptacyclo[14.7.1.02,14.03,11.04,8.05,23.020,24]tetracosane?
The InChIKey is CXMZJUDEZILUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36/c1-2-13-8-11-19-18-10-9-14-4-5-15-6-7-17-12-16(3-1)20(13)24(19)23(17)22(15)21(14)18/h13-24H,1-12H2.
What are the key properties of Heptacyclo[14.7.1.02,14.03,11.04,8.05,23.020,24]tetracosane?
Heptacyclo[14.7.1.02,14.03,11.04,8.05,23.020,24]tetracosane has a molecular weight of 324.55 g/mol, XLogP of 6.16, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for Heptacyclo[14.7.1.02,14.03,11.04,8.05,23.020,24]tetracosane is sourced from PubChem (CID 91257687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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