5-ethyl-1,2,4,5,6,6,7,8,10,12-decamethyltetracyclo[5.4.1.13,11.09,12]tridecane

C25H44 — CID 123823195

IUPAC5-ethyl-1,2,4,5,6,6,7,8,10,12-decamethyltetracyclo[5.4.1.13,11.09,12]tridecane
SMILESCCC1(C)C(C)C2CC3C(C)C4C(C)C(C)(C1(C)C)C4(C)C3(C)C2C
InChIInChI=1S/C25H44/c1-12-22(8)15(3)18-13-19-14(2)20-17(5)24(10,21(22,6)7)25(20,11)23(19,9)16(18)4/h14-20H,12-13H2,1-11H3
InChIKeyNXYPLYHTXXXKPM-UHFFFAOYSA-N
MW344.63 g/mol
LogP7.29
Rot. Bonds1

About 5-ethyl-1,2,4,5,6,6,7,8,10,12-decamethyltetracyclo[5.4.1.13,11.09,12]tridecane

5-ethyl-1,2,4,5,6,6,7,8,10,12-decamethyltetracyclo[5.4.1.13,11.09,12]tridecane (PubChem CID 123823195) has the molecular formula C25H44 and a molecular weight of 344.63 g/mol. Its IUPAC name is 5-ethyl-1,2,4,5,6,6,7,8,10,12-decamethyltetracyclo[5.4.1.13,11.09,12]tridecane.

Molecular Properties

Compound Name5-ethyl-1,2,4,5,6,6,7,8,10,12-decamethyltetracyclo[5.4.1.13,11.09,12]tridecane
PubChem CID123823195
Molecular FormulaC25H44
Molecular Weight344.63 g/mol
Exact Mass344.34
IUPAC Name5-ethyl-1,2,4,5,6,6,7,8,10,12-decamethyltetracyclo[5.4.1.13,11.09,12]tridecane
SMILESCCC1(C)C(C)C2CC3C(C)C4C(C)C(C)(C1(C)C)C4(C)C3(C)C2C
InChIInChI=1S/C25H44/c1-12-22(8)15(3)18-13-19-14(2)20-17(5)24(10,21(22,6)7)25(20,11)23(19,9)16(18)4/h14-20H,12-13H2,1-11H3
InChIKeyNXYPLYHTXXXKPM-UHFFFAOYSA-N
XLogP7.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.63
LogP ≤ 57.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1,2,4,5,6,6,7,8,10,12-decamethyltetracyclo[5.4.1.13,11.09,12]tridecane?
The IUPAC name of 5-ethyl-1,2,4,5,6,6,7,8,10,12-decamethyltetracyclo[5.4.1.13,11.09,12]tridecane (CID 123823195) is 5-ethyl-1,2,4,5,6,6,7,8,10,12-decamethyltetracyclo[5.4.1.13,11.09,12]tridecane.
What is the SMILES notation for 5-ethyl-1,2,4,5,6,6,7,8,10,12-decamethyltetracyclo[5.4.1.13,11.09,12]tridecane?
The canonical SMILES for 5-ethyl-1,2,4,5,6,6,7,8,10,12-decamethyltetracyclo[5.4.1.13,11.09,12]tridecane is CCC1(C)C(C)C2CC3C(C)C4C(C)C(C)(C1(C)C)C4(C)C3(C)C2C.
What is the InChIKey of 5-ethyl-1,2,4,5,6,6,7,8,10,12-decamethyltetracyclo[5.4.1.13,11.09,12]tridecane?
The InChIKey is NXYPLYHTXXXKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H44/c1-12-22(8)15(3)18-13-19-14(2)20-17(5)24(10,21(22,6)7)25(20,11)23(19,9)16(18)4/h14-20H,12-13H2,1-11H3.
What are the key properties of 5-ethyl-1,2,4,5,6,6,7,8,10,12-decamethyltetracyclo[5.4.1.13,11.09,12]tridecane?
5-ethyl-1,2,4,5,6,6,7,8,10,12-decamethyltetracyclo[5.4.1.13,11.09,12]tridecane has a molecular weight of 344.63 g/mol, XLogP of 7.29, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1,2,4,5,6,6,7,8,10,12-decamethyltetracyclo[5.4.1.13,11.09,12]tridecane is sourced from PubChem (CID 123823195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).