5-ethyltricyclo[3.3.1.13,7]deca-1,3-diene

C12H16 — CID 173458779

IUPAC5-ethyltricyclo[3.3.1.13,7]deca-1,3-diene
SMILESCCC12C=C3C=C(CC(C3)C1)C2
InChIInChI=1S/C12H16/c1-2-12-6-9-3-10(7-12)5-11(4-9)8-12/h3,6,11H,2,4-5,7-8H2,1H3
InChIKeyYCMSHBPWDOZCIY-UHFFFAOYSA-N
MW160.26 g/mol
LogP3.45
Rot. Bonds1

About 5-ethyltricyclo[3.3.1.13,7]deca-1,3-diene

5-ethyltricyclo[3.3.1.13,7]deca-1,3-diene (PubChem CID 173458779) has the molecular formula C12H16 and a molecular weight of 160.26 g/mol. Its IUPAC name is 5-ethyltricyclo[3.3.1.13,7]deca-1,3-diene.

Molecular Properties

Compound Name5-ethyltricyclo[3.3.1.13,7]deca-1,3-diene
PubChem CID173458779
Molecular FormulaC12H16
Molecular Weight160.26 g/mol
Exact Mass160.13
IUPAC Name5-ethyltricyclo[3.3.1.13,7]deca-1,3-diene
SMILESCCC12C=C3C=C(CC(C3)C1)C2
InChIInChI=1S/C12H16/c1-2-12-6-9-3-10(7-12)5-11(4-9)8-12/h3,6,11H,2,4-5,7-8H2,1H3
InChIKeyYCMSHBPWDOZCIY-UHFFFAOYSA-N
XLogP3.45
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 ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-ethyltricyclo[3.3.1.13,7]deca-1,3-diene?
The IUPAC name of 5-ethyltricyclo[3.3.1.13,7]deca-1,3-diene (CID 173458779) is 5-ethyltricyclo[3.3.1.13,7]deca-1,3-diene.
What is the SMILES notation for 5-ethyltricyclo[3.3.1.13,7]deca-1,3-diene?
The canonical SMILES for 5-ethyltricyclo[3.3.1.13,7]deca-1,3-diene is CCC12C=C3C=C(CC(C3)C1)C2.
What is the InChIKey of 5-ethyltricyclo[3.3.1.13,7]deca-1,3-diene?
The InChIKey is YCMSHBPWDOZCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16/c1-2-12-6-9-3-10(7-12)5-11(4-9)8-12/h3,6,11H,2,4-5,7-8H2,1H3.
What are the key properties of 5-ethyltricyclo[3.3.1.13,7]deca-1,3-diene?
5-ethyltricyclo[3.3.1.13,7]deca-1,3-diene has a molecular weight of 160.26 g/mol, XLogP of 3.45, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyltricyclo[3.3.1.13,7]deca-1,3-diene is sourced from PubChem (CID 173458779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).