5-ethyl-10-(2-ethyl-3-methylbutyl)-4-methyltetracyclo[6.3.0.02,11.03,6]undecane

C21H36 — CID 123187249

IUPAC5-ethyl-10-(2-ethyl-3-methylbutyl)-4-methyltetracyclo[6.3.0.02,11.03,6]undecane
SMILESCCC(CC1CC2CC3C(CC)C(C)C3C3C1C23)C(C)C
InChIInChI=1S/C21H36/c1-6-13(11(3)4)8-14-9-15-10-17-16(7-2)12(5)18(17)21-19(14)20(15)21/h11-21H,6-10H2,1-5H3
InChIKeyDHARVBILUHXDAQ-UHFFFAOYSA-N
MW288.52 g/mol
LogP5.87
Rot. Bonds5

About 5-ethyl-10-(2-ethyl-3-methylbutyl)-4-methyltetracyclo[6.3.0.02,11.03,6]undecane

5-ethyl-10-(2-ethyl-3-methylbutyl)-4-methyltetracyclo[6.3.0.02,11.03,6]undecane (PubChem CID 123187249) has the molecular formula C21H36 and a molecular weight of 288.52 g/mol. Its IUPAC name is 5-ethyl-10-(2-ethyl-3-methylbutyl)-4-methyltetracyclo[6.3.0.02,11.03,6]undecane.

Molecular Properties

Compound Name5-ethyl-10-(2-ethyl-3-methylbutyl)-4-methyltetracyclo[6.3.0.02,11.03,6]undecane
PubChem CID123187249
Molecular FormulaC21H36
Molecular Weight288.52 g/mol
Exact Mass288.28
IUPAC Name5-ethyl-10-(2-ethyl-3-methylbutyl)-4-methyltetracyclo[6.3.0.02,11.03,6]undecane
SMILESCCC(CC1CC2CC3C(CC)C(C)C3C3C1C23)C(C)C
InChIInChI=1S/C21H36/c1-6-13(11(3)4)8-14-9-15-10-17-16(7-2)12(5)18(17)21-19(14)20(15)21/h11-21H,6-10H2,1-5H3
InChIKeyDHARVBILUHXDAQ-UHFFFAOYSA-N
XLogP5.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.52
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-10-(2-ethyl-3-methylbutyl)-4-methyltetracyclo[6.3.0.02,11.03,6]undecane?
The IUPAC name of 5-ethyl-10-(2-ethyl-3-methylbutyl)-4-methyltetracyclo[6.3.0.02,11.03,6]undecane (CID 123187249) is 5-ethyl-10-(2-ethyl-3-methylbutyl)-4-methyltetracyclo[6.3.0.02,11.03,6]undecane.
What is the SMILES notation for 5-ethyl-10-(2-ethyl-3-methylbutyl)-4-methyltetracyclo[6.3.0.02,11.03,6]undecane?
The canonical SMILES for 5-ethyl-10-(2-ethyl-3-methylbutyl)-4-methyltetracyclo[6.3.0.02,11.03,6]undecane is CCC(CC1CC2CC3C(CC)C(C)C3C3C1C23)C(C)C.
What is the InChIKey of 5-ethyl-10-(2-ethyl-3-methylbutyl)-4-methyltetracyclo[6.3.0.02,11.03,6]undecane?
The InChIKey is DHARVBILUHXDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36/c1-6-13(11(3)4)8-14-9-15-10-17-16(7-2)12(5)18(17)21-19(14)20(15)21/h11-21H,6-10H2,1-5H3.
What are the key properties of 5-ethyl-10-(2-ethyl-3-methylbutyl)-4-methyltetracyclo[6.3.0.02,11.03,6]undecane?
5-ethyl-10-(2-ethyl-3-methylbutyl)-4-methyltetracyclo[6.3.0.02,11.03,6]undecane has a molecular weight of 288.52 g/mol, XLogP of 5.87, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-10-(2-ethyl-3-methylbutyl)-4-methyltetracyclo[6.3.0.02,11.03,6]undecane is sourced from PubChem (CID 123187249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).