ethyl tricyclo[6.2.1.02,7]undeca-2,4,6-triene-1-carboxylate

C14H16O2 — CID 134988073

IUPACethyl tricyclo[6.2.1.02,7]undeca-2,4,6-triene-1-carboxylate
SMILESCCOC(=O)C12CCC(C1)c1ccccc12
InChIInChI=1S/C14H16O2/c1-2-16-13(15)14-8-7-10(9-14)11-5-3-4-6-12(11)14/h3-6,10H,2,7-9H2,1H3
InChIKeyVMGFBXZSMPBTTR-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.77
Rot. Bonds2

About ethyl tricyclo[6.2.1.02,7]undeca-2,4,6-triene-1-carboxylate

ethyl tricyclo[6.2.1.02,7]undeca-2,4,6-triene-1-carboxylate (PubChem CID 134988073) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is ethyl tricyclo[6.2.1.02,7]undeca-2,4,6-triene-1-carboxylate.

Molecular Properties

Compound Nameethyl tricyclo[6.2.1.02,7]undeca-2,4,6-triene-1-carboxylate
PubChem CID134988073
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Nameethyl tricyclo[6.2.1.02,7]undeca-2,4,6-triene-1-carboxylate
SMILESCCOC(=O)C12CCC(C1)c1ccccc12
InChIInChI=1S/C14H16O2/c1-2-16-13(15)14-8-7-10(9-14)11-5-3-4-6-12(11)14/h3-6,10H,2,7-9H2,1H3
InChIKeyVMGFBXZSMPBTTR-UHFFFAOYSA-N
XLogP2.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl tricyclo[6.2.1.02,7]undeca-2,4,6-triene-1-carboxylate?
The IUPAC name of ethyl tricyclo[6.2.1.02,7]undeca-2,4,6-triene-1-carboxylate (CID 134988073) is ethyl tricyclo[6.2.1.02,7]undeca-2,4,6-triene-1-carboxylate.
What is the SMILES notation for ethyl tricyclo[6.2.1.02,7]undeca-2,4,6-triene-1-carboxylate?
The canonical SMILES for ethyl tricyclo[6.2.1.02,7]undeca-2,4,6-triene-1-carboxylate is CCOC(=O)C12CCC(C1)c1ccccc12.
What is the InChIKey of ethyl tricyclo[6.2.1.02,7]undeca-2,4,6-triene-1-carboxylate?
The InChIKey is VMGFBXZSMPBTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2/c1-2-16-13(15)14-8-7-10(9-14)11-5-3-4-6-12(11)14/h3-6,10H,2,7-9H2,1H3.
What are the key properties of ethyl tricyclo[6.2.1.02,7]undeca-2,4,6-triene-1-carboxylate?
ethyl tricyclo[6.2.1.02,7]undeca-2,4,6-triene-1-carboxylate has a molecular weight of 216.28 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl tricyclo[6.2.1.02,7]undeca-2,4,6-triene-1-carboxylate is sourced from PubChem (CID 134988073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).