6-ethyl-2,3,5-trimethyltetracyclo[5.3.1.01,5.03,9]undecane

C16H26 — CID 90921335

IUPAC6-ethyl-2,3,5-trimethyltetracyclo[5.3.1.01,5.03,9]undecane
SMILESCCC1C2CC3CC4(C2)C(C)C3(C)CC14C
InChIInChI=1S/C16H26/c1-5-13-11-6-12-8-16(7-11)10(2)14(12,3)9-15(13,16)4/h10-13H,5-9H2,1-4H3
InChIKeyLKLLPSMXPWEBSI-UHFFFAOYSA-N
MW218.38 g/mol
LogP4.49
Rot. Bonds1

About 6-ethyl-2,3,5-trimethyltetracyclo[5.3.1.01,5.03,9]undecane

6-ethyl-2,3,5-trimethyltetracyclo[5.3.1.01,5.03,9]undecane (PubChem CID 90921335) has the molecular formula C16H26 and a molecular weight of 218.38 g/mol. Its IUPAC name is 6-ethyl-2,3,5-trimethyltetracyclo[5.3.1.01,5.03,9]undecane.

Molecular Properties

Compound Name6-ethyl-2,3,5-trimethyltetracyclo[5.3.1.01,5.03,9]undecane
PubChem CID90921335
Molecular FormulaC16H26
Molecular Weight218.38 g/mol
Exact Mass218.20
IUPAC Name6-ethyl-2,3,5-trimethyltetracyclo[5.3.1.01,5.03,9]undecane
SMILESCCC1C2CC3CC4(C2)C(C)C3(C)CC14C
InChIInChI=1S/C16H26/c1-5-13-11-6-12-8-16(7-11)10(2)14(12,3)9-15(13,16)4/h10-13H,5-9H2,1-4H3
InChIKeyLKLLPSMXPWEBSI-UHFFFAOYSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.38
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2,3,5-trimethyltetracyclo[5.3.1.01,5.03,9]undecane?
The IUPAC name of 6-ethyl-2,3,5-trimethyltetracyclo[5.3.1.01,5.03,9]undecane (CID 90921335) is 6-ethyl-2,3,5-trimethyltetracyclo[5.3.1.01,5.03,9]undecane.
What is the SMILES notation for 6-ethyl-2,3,5-trimethyltetracyclo[5.3.1.01,5.03,9]undecane?
The canonical SMILES for 6-ethyl-2,3,5-trimethyltetracyclo[5.3.1.01,5.03,9]undecane is CCC1C2CC3CC4(C2)C(C)C3(C)CC14C.
What is the InChIKey of 6-ethyl-2,3,5-trimethyltetracyclo[5.3.1.01,5.03,9]undecane?
The InChIKey is LKLLPSMXPWEBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26/c1-5-13-11-6-12-8-16(7-11)10(2)14(12,3)9-15(13,16)4/h10-13H,5-9H2,1-4H3.
What are the key properties of 6-ethyl-2,3,5-trimethyltetracyclo[5.3.1.01,5.03,9]undecane?
6-ethyl-2,3,5-trimethyltetracyclo[5.3.1.01,5.03,9]undecane has a molecular weight of 218.38 g/mol, XLogP of 4.49, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2,3,5-trimethyltetracyclo[5.3.1.01,5.03,9]undecane is sourced from PubChem (CID 90921335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).