ethyl tetracyclo[6.4.1.04,13.09,11]trideca-1(12),4(13),5,7-tetraene-10-carboxylate

C16H16O2 — CID 5212385

IUPACethyl tetracyclo[6.4.1.04,13.09,11]trideca-1(12),4(13),5,7-tetraene-10-carboxylate
SMILESCCOC(=O)C1C2C=C3CCc4cccc(c43)C21
InChIInChI=1S/C16H16O2/c1-2-18-16(17)15-12-8-10-7-6-9-4-3-5-11(13(9)10)14(12)15/h3-5,8,12,14-15H,2,6-7H2,1H3
InChIKeyLWENPOAPZKOYQS-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.92
Rot. Bonds2

About ethyl tetracyclo[6.4.1.04,13.09,11]trideca-1(12),4(13),5,7-tetraene-10-carboxylate

ethyl tetracyclo[6.4.1.04,13.09,11]trideca-1(12),4(13),5,7-tetraene-10-carboxylate (PubChem CID 5212385) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is ethyl tetracyclo[6.4.1.04,13.09,11]trideca-1(12),4(13),5,7-tetraene-10-carboxylate.

Molecular Properties

Compound Nameethyl tetracyclo[6.4.1.04,13.09,11]trideca-1(12),4(13),5,7-tetraene-10-carboxylate
PubChem CID5212385
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Nameethyl tetracyclo[6.4.1.04,13.09,11]trideca-1(12),4(13),5,7-tetraene-10-carboxylate
SMILESCCOC(=O)C1C2C=C3CCc4cccc(c43)C21
InChIInChI=1S/C16H16O2/c1-2-18-16(17)15-12-8-10-7-6-9-4-3-5-11(13(9)10)14(12)15/h3-5,8,12,14-15H,2,6-7H2,1H3
InChIKeyLWENPOAPZKOYQS-UHFFFAOYSA-N
XLogP2.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethyl tetracyclo[6.4.1.04,13.09,11]trideca-1(12),4(13),5,7-tetraene-10-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl tetracyclo[6.4.1.04,13.09,11]trideca-1(12),4(13),5,7-tetraene-10-carboxylate?
The IUPAC name of ethyl tetracyclo[6.4.1.04,13.09,11]trideca-1(12),4(13),5,7-tetraene-10-carboxylate (CID 5212385) is ethyl tetracyclo[6.4.1.04,13.09,11]trideca-1(12),4(13),5,7-tetraene-10-carboxylate.
What is the SMILES notation for ethyl tetracyclo[6.4.1.04,13.09,11]trideca-1(12),4(13),5,7-tetraene-10-carboxylate?
The canonical SMILES for ethyl tetracyclo[6.4.1.04,13.09,11]trideca-1(12),4(13),5,7-tetraene-10-carboxylate is CCOC(=O)C1C2C=C3CCc4cccc(c43)C21.
What is the InChIKey of ethyl tetracyclo[6.4.1.04,13.09,11]trideca-1(12),4(13),5,7-tetraene-10-carboxylate?
The InChIKey is LWENPOAPZKOYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c1-2-18-16(17)15-12-8-10-7-6-9-4-3-5-11(13(9)10)14(12)15/h3-5,8,12,14-15H,2,6-7H2,1H3.
What are the key properties of ethyl tetracyclo[6.4.1.04,13.09,11]trideca-1(12),4(13),5,7-tetraene-10-carboxylate?
ethyl tetracyclo[6.4.1.04,13.09,11]trideca-1(12),4(13),5,7-tetraene-10-carboxylate has a molecular weight of 240.30 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl tetracyclo[6.4.1.04,13.09,11]trideca-1(12),4(13),5,7-tetraene-10-carboxylate is sourced from PubChem (CID 5212385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).