3-ethyltricyclo[5.2.1.02,6]deca-3,8-diene

C12H16 — CID 140517812

IUPAC3-ethyltricyclo[5.2.1.02,6]deca-3,8-diene
SMILESCCC1=CCC2C3C=CC(C3)C12
InChIInChI=1S/C12H16/c1-2-8-5-6-11-9-3-4-10(7-9)12(8)11/h3-5,9-12H,2,6-7H2,1H3
InChIKeyMJPQRIPEFJDVFR-UHFFFAOYSA-N
MW160.26 g/mol
LogP3.16
Rot. Bonds1

About 3-ethyltricyclo[5.2.1.02,6]deca-3,8-diene

3-ethyltricyclo[5.2.1.02,6]deca-3,8-diene (PubChem CID 140517812) has the molecular formula C12H16 and a molecular weight of 160.26 g/mol. Its IUPAC name is 3-ethyltricyclo[5.2.1.02,6]deca-3,8-diene.

Molecular Properties

Compound Name3-ethyltricyclo[5.2.1.02,6]deca-3,8-diene
PubChem CID140517812
Molecular FormulaC12H16
Molecular Weight160.26 g/mol
Exact Mass160.13
IUPAC Name3-ethyltricyclo[5.2.1.02,6]deca-3,8-diene
SMILESCCC1=CCC2C3C=CC(C3)C12
InChIInChI=1S/C12H16/c1-2-8-5-6-11-9-3-4-10(7-9)12(8)11/h3-5,9-12H,2,6-7H2,1H3
InChIKeyMJPQRIPEFJDVFR-UHFFFAOYSA-N
XLogP3.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethyltricyclo[5.2.1.02,6]deca-3,8-diene?
The IUPAC name of 3-ethyltricyclo[5.2.1.02,6]deca-3,8-diene (CID 140517812) is 3-ethyltricyclo[5.2.1.02,6]deca-3,8-diene.
What is the SMILES notation for 3-ethyltricyclo[5.2.1.02,6]deca-3,8-diene?
The canonical SMILES for 3-ethyltricyclo[5.2.1.02,6]deca-3,8-diene is CCC1=CCC2C3C=CC(C3)C12.
What is the InChIKey of 3-ethyltricyclo[5.2.1.02,6]deca-3,8-diene?
The InChIKey is MJPQRIPEFJDVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16/c1-2-8-5-6-11-9-3-4-10(7-9)12(8)11/h3-5,9-12H,2,6-7H2,1H3.
What are the key properties of 3-ethyltricyclo[5.2.1.02,6]deca-3,8-diene?
3-ethyltricyclo[5.2.1.02,6]deca-3,8-diene has a molecular weight of 160.26 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyltricyclo[5.2.1.02,6]deca-3,8-diene is sourced from PubChem (CID 140517812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).