1-ethyltricyclo[2.2.1.02,6]heptane

C9H14 — CID 12951260

IUPAC1-ethyltricyclo[2.2.1.02,6]heptane
SMILESCCC12CC3CC1C2C3
InChIInChI=1S/C9H14/c1-2-9-5-6-3-7(9)8(9)4-6/h6-8H,2-5H2,1H3
InChIKeyLREXOFOLJCLIQB-UHFFFAOYSA-N
MW122.21 g/mol
LogP2.44
Rot. Bonds1

About 1-ethyltricyclo[2.2.1.02,6]heptane

1-ethyltricyclo[2.2.1.02,6]heptane (PubChem CID 12951260) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is 1-ethyltricyclo[2.2.1.02,6]heptane.

Molecular Properties

Compound Name1-ethyltricyclo[2.2.1.02,6]heptane
PubChem CID12951260
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Name1-ethyltricyclo[2.2.1.02,6]heptane
SMILESCCC12CC3CC1C2C3
InChIInChI=1S/C9H14/c1-2-9-5-6-3-7(9)8(9)4-6/h6-8H,2-5H2,1H3
InChIKeyLREXOFOLJCLIQB-UHFFFAOYSA-N
XLogP2.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.21
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-ethyltricyclo[2.2.1.02,6]heptane?
The IUPAC name of 1-ethyltricyclo[2.2.1.02,6]heptane (CID 12951260) is 1-ethyltricyclo[2.2.1.02,6]heptane.
What is the SMILES notation for 1-ethyltricyclo[2.2.1.02,6]heptane?
The canonical SMILES for 1-ethyltricyclo[2.2.1.02,6]heptane is CCC12CC3CC1C2C3.
What is the InChIKey of 1-ethyltricyclo[2.2.1.02,6]heptane?
The InChIKey is LREXOFOLJCLIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14/c1-2-9-5-6-3-7(9)8(9)4-6/h6-8H,2-5H2,1H3.
What are the key properties of 1-ethyltricyclo[2.2.1.02,6]heptane?
1-ethyltricyclo[2.2.1.02,6]heptane has a molecular weight of 122.21 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyltricyclo[2.2.1.02,6]heptane is sourced from PubChem (CID 12951260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).