8-tricyclo[5.2.1.02,6]dec-1-enyl prop-2-enoate

C13H16O2 — CID 141343042

IUPAC8-tricyclo[5.2.1.02,6]dec-1-enyl prop-2-enoate
SMILESC=CC(=O)OC1CC2=C3CCCC3C1C2
InChIInChI=1S/C13H16O2/c1-2-13(14)15-12-7-8-6-11(12)10-5-3-4-9(8)10/h2,10-12H,1,3-7H2
InChIKeyXMTNLXXYIPDBII-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.60
Rot. Bonds2

About 8-tricyclo[5.2.1.02,6]dec-1-enyl prop-2-enoate

8-tricyclo[5.2.1.02,6]dec-1-enyl prop-2-enoate (PubChem CID 141343042) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 8-tricyclo[5.2.1.02,6]dec-1-enyl prop-2-enoate.

Molecular Properties

Compound Name8-tricyclo[5.2.1.02,6]dec-1-enyl prop-2-enoate
PubChem CID141343042
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name8-tricyclo[5.2.1.02,6]dec-1-enyl prop-2-enoate
SMILESC=CC(=O)OC1CC2=C3CCCC3C1C2
InChIInChI=1S/C13H16O2/c1-2-13(14)15-12-7-8-6-11(12)10-5-3-4-9(8)10/h2,10-12H,1,3-7H2
InChIKeyXMTNLXXYIPDBII-UHFFFAOYSA-N
XLogP2.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-tricyclo[5.2.1.02,6]dec-1-enyl prop-2-enoate?
The IUPAC name of 8-tricyclo[5.2.1.02,6]dec-1-enyl prop-2-enoate (CID 141343042) is 8-tricyclo[5.2.1.02,6]dec-1-enyl prop-2-enoate.
What is the SMILES notation for 8-tricyclo[5.2.1.02,6]dec-1-enyl prop-2-enoate?
The canonical SMILES for 8-tricyclo[5.2.1.02,6]dec-1-enyl prop-2-enoate is C=CC(=O)OC1CC2=C3CCCC3C1C2.
What is the InChIKey of 8-tricyclo[5.2.1.02,6]dec-1-enyl prop-2-enoate?
The InChIKey is XMTNLXXYIPDBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-2-13(14)15-12-7-8-6-11(12)10-5-3-4-9(8)10/h2,10-12H,1,3-7H2.
What are the key properties of 8-tricyclo[5.2.1.02,6]dec-1-enyl prop-2-enoate?
8-tricyclo[5.2.1.02,6]dec-1-enyl prop-2-enoate has a molecular weight of 204.27 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tricyclo[5.2.1.02,6]dec-1-enyl prop-2-enoate is sourced from PubChem (CID 141343042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).