8-methyl-1-propyltricyclo[10.6.2.24,15]docosane

C26H48 — CID 135018291

IUPAC8-methyl-1-propyltricyclo[10.6.2.24,15]docosane
SMILESCCCC12CCCC3CCC(CCCC(C)CCCC(CC3)CC1)CC2
InChIInChI=1S/C26H48/c1-3-18-26-19-6-11-23-12-14-24(16-20-26)9-4-7-22(2)8-5-10-25(15-13-23)17-21-26/h22-25H,3-21H2,1-2H3
InChIKeyLNTOKTRHPIZVRE-UHFFFAOYSA-N
MW360.67 g/mol
LogP8.93
Rot. Bonds2

About 8-methyl-1-propyltricyclo[10.6.2.24,15]docosane

8-methyl-1-propyltricyclo[10.6.2.24,15]docosane (PubChem CID 135018291) has the molecular formula C26H48 and a molecular weight of 360.67 g/mol. Its IUPAC name is 8-methyl-1-propyltricyclo[10.6.2.24,15]docosane.

Molecular Properties

Compound Name8-methyl-1-propyltricyclo[10.6.2.24,15]docosane
PubChem CID135018291
Molecular FormulaC26H48
Molecular Weight360.67 g/mol
Exact Mass360.38
IUPAC Name8-methyl-1-propyltricyclo[10.6.2.24,15]docosane
SMILESCCCC12CCCC3CCC(CCCC(C)CCCC(CC3)CC1)CC2
InChIInChI=1S/C26H48/c1-3-18-26-19-6-11-23-12-14-24(16-20-26)9-4-7-22(2)8-5-10-25(15-13-23)17-21-26/h22-25H,3-21H2,1-2H3
InChIKeyLNTOKTRHPIZVRE-UHFFFAOYSA-N
XLogP8.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.67
LogP ≤ 58.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-1-propyltricyclo[10.6.2.24,15]docosane?
The IUPAC name of 8-methyl-1-propyltricyclo[10.6.2.24,15]docosane (CID 135018291) is 8-methyl-1-propyltricyclo[10.6.2.24,15]docosane.
What is the SMILES notation for 8-methyl-1-propyltricyclo[10.6.2.24,15]docosane?
The canonical SMILES for 8-methyl-1-propyltricyclo[10.6.2.24,15]docosane is CCCC12CCCC3CCC(CCCC(C)CCCC(CC3)CC1)CC2.
What is the InChIKey of 8-methyl-1-propyltricyclo[10.6.2.24,15]docosane?
The InChIKey is LNTOKTRHPIZVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H48/c1-3-18-26-19-6-11-23-12-14-24(16-20-26)9-4-7-22(2)8-5-10-25(15-13-23)17-21-26/h22-25H,3-21H2,1-2H3.
What are the key properties of 8-methyl-1-propyltricyclo[10.6.2.24,15]docosane?
8-methyl-1-propyltricyclo[10.6.2.24,15]docosane has a molecular weight of 360.67 g/mol, XLogP of 8.93, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1-propyltricyclo[10.6.2.24,15]docosane is sourced from PubChem (CID 135018291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).