2,4,5,7,10,11,15,17-octamethyltetracyclo[12.4.0.03,7.08,10]octadecane

C26H46 — CID 176792744

IUPAC2,4,5,7,10,11,15,17-octamethyltetracyclo[12.4.0.03,7.08,10]octadecane
SMILESCC1CC(C)C2CCC(C)C3(C)CC3C3(C)CC(C)C(C)C3C(C)C2C1
InChIInChI=1S/C26H46/c1-15-11-16(2)21-10-9-18(4)25(7)14-23(25)26(8)13-17(3)19(5)24(26)20(6)22(21)12-15/h15-24H,9-14H2,1-8H3
InChIKeyFPNJTINSJXHTAN-UHFFFAOYSA-N
MW358.65 g/mol
LogP7.68
Rot. Bonds

About 2,4,5,7,10,11,15,17-octamethyltetracyclo[12.4.0.03,7.08,10]octadecane

2,4,5,7,10,11,15,17-octamethyltetracyclo[12.4.0.03,7.08,10]octadecane (PubChem CID 176792744) has the molecular formula C26H46 and a molecular weight of 358.65 g/mol. Its IUPAC name is 2,4,5,7,10,11,15,17-octamethyltetracyclo[12.4.0.03,7.08,10]octadecane.

Molecular Properties

Compound Name2,4,5,7,10,11,15,17-octamethyltetracyclo[12.4.0.03,7.08,10]octadecane
PubChem CID176792744
Molecular FormulaC26H46
Molecular Weight358.65 g/mol
Exact Mass358.36
IUPAC Name2,4,5,7,10,11,15,17-octamethyltetracyclo[12.4.0.03,7.08,10]octadecane
SMILESCC1CC(C)C2CCC(C)C3(C)CC3C3(C)CC(C)C(C)C3C(C)C2C1
InChIInChI=1S/C26H46/c1-15-11-16(2)21-10-9-18(4)25(7)14-23(25)26(8)13-17(3)19(5)24(26)20(6)22(21)12-15/h15-24H,9-14H2,1-8H3
InChIKeyFPNJTINSJXHTAN-UHFFFAOYSA-N
XLogP7.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.65
LogP ≤ 57.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,4,5,7,10,11,15,17-octamethyltetracyclo[12.4.0.03,7.08,10]octadecane?
The IUPAC name of 2,4,5,7,10,11,15,17-octamethyltetracyclo[12.4.0.03,7.08,10]octadecane (CID 176792744) is 2,4,5,7,10,11,15,17-octamethyltetracyclo[12.4.0.03,7.08,10]octadecane.
What is the SMILES notation for 2,4,5,7,10,11,15,17-octamethyltetracyclo[12.4.0.03,7.08,10]octadecane?
The canonical SMILES for 2,4,5,7,10,11,15,17-octamethyltetracyclo[12.4.0.03,7.08,10]octadecane is CC1CC(C)C2CCC(C)C3(C)CC3C3(C)CC(C)C(C)C3C(C)C2C1.
What is the InChIKey of 2,4,5,7,10,11,15,17-octamethyltetracyclo[12.4.0.03,7.08,10]octadecane?
The InChIKey is FPNJTINSJXHTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H46/c1-15-11-16(2)21-10-9-18(4)25(7)14-23(25)26(8)13-17(3)19(5)24(26)20(6)22(21)12-15/h15-24H,9-14H2,1-8H3.
What are the key properties of 2,4,5,7,10,11,15,17-octamethyltetracyclo[12.4.0.03,7.08,10]octadecane?
2,4,5,7,10,11,15,17-octamethyltetracyclo[12.4.0.03,7.08,10]octadecane has a molecular weight of 358.65 g/mol, XLogP of 7.68, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5,7,10,11,15,17-octamethyltetracyclo[12.4.0.03,7.08,10]octadecane is sourced from PubChem (CID 176792744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).