2-ethyltricyclo[4.2.0.01,3]octane

C10H16 — CID 123607401

IUPAC2-ethyltricyclo[4.2.0.01,3]octane
SMILESCCC1C2CCC3CCC312
InChIInChI=1S/C10H16/c1-2-8-9-4-3-7-5-6-10(7,8)9/h7-9H,2-6H2,1H3
InChIKeyXQMJCSJTIATQLC-UHFFFAOYSA-N
MW136.24 g/mol
LogP2.83
Rot. Bonds1

About 2-ethyltricyclo[4.2.0.01,3]octane

2-ethyltricyclo[4.2.0.01,3]octane (PubChem CID 123607401) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is 2-ethyltricyclo[4.2.0.01,3]octane.

Molecular Properties

Compound Name2-ethyltricyclo[4.2.0.01,3]octane
PubChem CID123607401
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name2-ethyltricyclo[4.2.0.01,3]octane
SMILESCCC1C2CCC3CCC312
InChIInChI=1S/C10H16/c1-2-8-9-4-3-7-5-6-10(7,8)9/h7-9H,2-6H2,1H3
InChIKeyXQMJCSJTIATQLC-UHFFFAOYSA-N
XLogP2.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-ethyltricyclo[4.2.0.01,3]octane?
The IUPAC name of 2-ethyltricyclo[4.2.0.01,3]octane (CID 123607401) is 2-ethyltricyclo[4.2.0.01,3]octane.
What is the SMILES notation for 2-ethyltricyclo[4.2.0.01,3]octane?
The canonical SMILES for 2-ethyltricyclo[4.2.0.01,3]octane is CCC1C2CCC3CCC312.
What is the InChIKey of 2-ethyltricyclo[4.2.0.01,3]octane?
The InChIKey is XQMJCSJTIATQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16/c1-2-8-9-4-3-7-5-6-10(7,8)9/h7-9H,2-6H2,1H3.
What are the key properties of 2-ethyltricyclo[4.2.0.01,3]octane?
2-ethyltricyclo[4.2.0.01,3]octane has a molecular weight of 136.24 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyltricyclo[4.2.0.01,3]octane is sourced from PubChem (CID 123607401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).