11-ethyltetracyclo[7.2.1.01,7.03,8]dodec-4-ene

C14H20 — CID 172765752

IUPAC11-ethyltetracyclo[7.2.1.01,7.03,8]dodec-4-ene
SMILESCCC1CC2CC13CC1C=CCC3C12
InChIInChI=1S/C14H20/c1-2-11-6-10-8-14(11)7-9-4-3-5-12(14)13(9)10/h3-4,9-13H,2,5-8H2,1H3
InChIKeyMHEQVRVIJIUKBE-UHFFFAOYSA-N
MW188.31 g/mol
LogP3.63
Rot. Bonds1

About 11-ethyltetracyclo[7.2.1.01,7.03,8]dodec-4-ene

11-ethyltetracyclo[7.2.1.01,7.03,8]dodec-4-ene (PubChem CID 172765752) has the molecular formula C14H20 and a molecular weight of 188.31 g/mol. Its IUPAC name is 11-ethyltetracyclo[7.2.1.01,7.03,8]dodec-4-ene.

Molecular Properties

Compound Name11-ethyltetracyclo[7.2.1.01,7.03,8]dodec-4-ene
PubChem CID172765752
Molecular FormulaC14H20
Molecular Weight188.31 g/mol
Exact Mass188.16
IUPAC Name11-ethyltetracyclo[7.2.1.01,7.03,8]dodec-4-ene
SMILESCCC1CC2CC13CC1C=CCC3C12
InChIInChI=1S/C14H20/c1-2-11-6-10-8-14(11)7-9-4-3-5-12(14)13(9)10/h3-4,9-13H,2,5-8H2,1H3
InChIKeyMHEQVRVIJIUKBE-UHFFFAOYSA-N
XLogP3.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 53.63
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 11-ethyltetracyclo[7.2.1.01,7.03,8]dodec-4-ene?
The IUPAC name of 11-ethyltetracyclo[7.2.1.01,7.03,8]dodec-4-ene (CID 172765752) is 11-ethyltetracyclo[7.2.1.01,7.03,8]dodec-4-ene.
What is the SMILES notation for 11-ethyltetracyclo[7.2.1.01,7.03,8]dodec-4-ene?
The canonical SMILES for 11-ethyltetracyclo[7.2.1.01,7.03,8]dodec-4-ene is CCC1CC2CC13CC1C=CCC3C12.
What is the InChIKey of 11-ethyltetracyclo[7.2.1.01,7.03,8]dodec-4-ene?
The InChIKey is MHEQVRVIJIUKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20/c1-2-11-6-10-8-14(11)7-9-4-3-5-12(14)13(9)10/h3-4,9-13H,2,5-8H2,1H3.
What are the key properties of 11-ethyltetracyclo[7.2.1.01,7.03,8]dodec-4-ene?
11-ethyltetracyclo[7.2.1.01,7.03,8]dodec-4-ene has a molecular weight of 188.31 g/mol, XLogP of 3.63, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 11-ethyltetracyclo[7.2.1.01,7.03,8]dodec-4-ene is sourced from PubChem (CID 172765752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).