octacyclo[17.7.1.04,25.07,24.010,23.013,22.015,20.021,26]heptacosane

C27H40 — CID 101255308

IUPACoctacyclo[17.7.1.04,25.07,24.010,23.013,22.015,20.021,26]heptacosane
SMILESC1CC2CC3CCC4CCC5CCC6CCC7CC(C1)C2C1C3C4C5C6C71
InChIInChI=1S/C27H40/c1-2-17-12-19-10-8-15-6-4-14-5-7-16-9-11-20-13-18(3-1)21(17)27-25(19)23(15)22(14)24(16)26(20)27/h14-27H,1-13H2
InChIKeyUSQRATJQIKZSLD-UHFFFAOYSA-N
MW364.62 g/mol
LogP6.79
Rot. Bonds

About octacyclo[17.7.1.04,25.07,24.010,23.013,22.015,20.021,26]heptacosane

octacyclo[17.7.1.04,25.07,24.010,23.013,22.015,20.021,26]heptacosane (PubChem CID 101255308) has the molecular formula C27H40 and a molecular weight of 364.62 g/mol. Its IUPAC name is octacyclo[17.7.1.04,25.07,24.010,23.013,22.015,20.021,26]heptacosane.

Molecular Properties

Compound Nameoctacyclo[17.7.1.04,25.07,24.010,23.013,22.015,20.021,26]heptacosane
PubChem CID101255308
Molecular FormulaC27H40
Molecular Weight364.62 g/mol
Exact Mass364.31
IUPAC Nameoctacyclo[17.7.1.04,25.07,24.010,23.013,22.015,20.021,26]heptacosane
SMILESC1CC2CC3CCC4CCC5CCC6CCC7CC(C1)C2C1C3C4C5C6C71
InChIInChI=1S/C27H40/c1-2-17-12-19-10-8-15-6-4-14-5-7-16-9-11-20-13-18(3-1)21(17)27-25(19)23(15)22(14)24(16)26(20)27/h14-27H,1-13H2
InChIKeyUSQRATJQIKZSLD-UHFFFAOYSA-N
XLogP6.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.62
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of octacyclo[17.7.1.04,25.07,24.010,23.013,22.015,20.021,26]heptacosane?
The IUPAC name of octacyclo[17.7.1.04,25.07,24.010,23.013,22.015,20.021,26]heptacosane (CID 101255308) is octacyclo[17.7.1.04,25.07,24.010,23.013,22.015,20.021,26]heptacosane.
What is the SMILES notation for octacyclo[17.7.1.04,25.07,24.010,23.013,22.015,20.021,26]heptacosane?
The canonical SMILES for octacyclo[17.7.1.04,25.07,24.010,23.013,22.015,20.021,26]heptacosane is C1CC2CC3CCC4CCC5CCC6CCC7CC(C1)C2C1C3C4C5C6C71.
What is the InChIKey of octacyclo[17.7.1.04,25.07,24.010,23.013,22.015,20.021,26]heptacosane?
The InChIKey is USQRATJQIKZSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40/c1-2-17-12-19-10-8-15-6-4-14-5-7-16-9-11-20-13-18(3-1)21(17)27-25(19)23(15)22(14)24(16)26(20)27/h14-27H,1-13H2.
What are the key properties of octacyclo[17.7.1.04,25.07,24.010,23.013,22.015,20.021,26]heptacosane?
octacyclo[17.7.1.04,25.07,24.010,23.013,22.015,20.021,26]heptacosane has a molecular weight of 364.62 g/mol, XLogP of 6.79, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for octacyclo[17.7.1.04,25.07,24.010,23.013,22.015,20.021,26]heptacosane is sourced from PubChem (CID 101255308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).