ethyl tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylate

C19H18O2 — CID 3597913

IUPACethyl tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylate
SMILESCCOC(=O)C1CC2c3ccccc3C1c1ccccc12
InChIInChI=1S/C19H18O2/c1-2-21-19(20)17-11-16-12-7-3-5-9-14(12)18(17)15-10-6-4-8-13(15)16/h3-10,16-18H,2,11H2,1H3
InChIKeyAIEQMWJRXXBTLB-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.85
Rot. Bonds2

About ethyl tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylate

ethyl tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylate (PubChem CID 3597913) has the molecular formula C19H18O2 and a molecular weight of 278.35 g/mol. Its IUPAC name is ethyl tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylate.

Molecular Properties

Compound Nameethyl tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylate
PubChem CID3597913
Molecular FormulaC19H18O2
Molecular Weight278.35 g/mol
Exact Mass278.13
IUPAC Nameethyl tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylate
SMILESCCOC(=O)C1CC2c3ccccc3C1c1ccccc12
InChIInChI=1S/C19H18O2/c1-2-21-19(20)17-11-16-12-7-3-5-9-14(12)18(17)15-10-6-4-8-13(15)16/h3-10,16-18H,2,11H2,1H3
InChIKeyAIEQMWJRXXBTLB-UHFFFAOYSA-N
XLogP3.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylate?
The IUPAC name of ethyl tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylate (CID 3597913) is ethyl tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylate.
What is the SMILES notation for ethyl tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylate?
The canonical SMILES for ethyl tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylate is CCOC(=O)C1CC2c3ccccc3C1c1ccccc12.
What is the InChIKey of ethyl tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylate?
The InChIKey is AIEQMWJRXXBTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O2/c1-2-21-19(20)17-11-16-12-7-3-5-9-14(12)18(17)15-10-6-4-8-13(15)16/h3-10,16-18H,2,11H2,1H3.
What are the key properties of ethyl tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylate?
ethyl tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylate has a molecular weight of 278.35 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylate is sourced from PubChem (CID 3597913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).