1-ethyl-2,4,6-trimethylbicyclo[3.2.1]octane

C13H24 — CID 91011484

IUPAC1-ethyl-2,4,6-trimethylbicyclo[3.2.1]octane
SMILESCCC12CC(C)C(C1)C(C)CC2C
InChIInChI=1S/C13H24/c1-5-13-7-10(3)12(8-13)9(2)6-11(13)4/h9-12H,5-8H2,1-4H3
InChIKeyXENZSUZSWLKRCX-UHFFFAOYSA-N
MW180.33 g/mol
LogP4.10
Rot. Bonds1

About 1-ethyl-2,4,6-trimethylbicyclo[3.2.1]octane

1-ethyl-2,4,6-trimethylbicyclo[3.2.1]octane (PubChem CID 91011484) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is 1-ethyl-2,4,6-trimethylbicyclo[3.2.1]octane.

Molecular Properties

Compound Name1-ethyl-2,4,6-trimethylbicyclo[3.2.1]octane
PubChem CID91011484
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name1-ethyl-2,4,6-trimethylbicyclo[3.2.1]octane
SMILESCCC12CC(C)C(C1)C(C)CC2C
InChIInChI=1S/C13H24/c1-5-13-7-10(3)12(8-13)9(2)6-11(13)4/h9-12H,5-8H2,1-4H3
InChIKeyXENZSUZSWLKRCX-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,4,6-trimethylbicyclo[3.2.1]octane?
The IUPAC name of 1-ethyl-2,4,6-trimethylbicyclo[3.2.1]octane (CID 91011484) is 1-ethyl-2,4,6-trimethylbicyclo[3.2.1]octane.
What is the SMILES notation for 1-ethyl-2,4,6-trimethylbicyclo[3.2.1]octane?
The canonical SMILES for 1-ethyl-2,4,6-trimethylbicyclo[3.2.1]octane is CCC12CC(C)C(C1)C(C)CC2C.
What is the InChIKey of 1-ethyl-2,4,6-trimethylbicyclo[3.2.1]octane?
The InChIKey is XENZSUZSWLKRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24/c1-5-13-7-10(3)12(8-13)9(2)6-11(13)4/h9-12H,5-8H2,1-4H3.
What are the key properties of 1-ethyl-2,4,6-trimethylbicyclo[3.2.1]octane?
1-ethyl-2,4,6-trimethylbicyclo[3.2.1]octane has a molecular weight of 180.33 g/mol, XLogP of 4.10, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,4,6-trimethylbicyclo[3.2.1]octane is sourced from PubChem (CID 91011484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).