3-tricyclo[5.2.1.02,6]dec-4-enyl acetate

C12H16O2 — CID 13495562

IUPAC3-tricyclo[5.2.1.02,6]dec-4-enyl acetate
SMILESCC(=O)OC1C=CC2C3CCC(C3)C12
InChIInChI=1S/C12H16O2/c1-7(13)14-11-5-4-10-8-2-3-9(6-8)12(10)11/h4-5,8-12H,2-3,6H2,1H3
InChIKeyIWKVBDHPANGKEX-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.15
Rot. Bonds1

About 3-tricyclo[5.2.1.02,6]dec-4-enyl acetate

3-tricyclo[5.2.1.02,6]dec-4-enyl acetate (PubChem CID 13495562) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 3-tricyclo[5.2.1.02,6]dec-4-enyl acetate.

Molecular Properties

Compound Name3-tricyclo[5.2.1.02,6]dec-4-enyl acetate
PubChem CID13495562
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name3-tricyclo[5.2.1.02,6]dec-4-enyl acetate
SMILESCC(=O)OC1C=CC2C3CCC(C3)C12
InChIInChI=1S/C12H16O2/c1-7(13)14-11-5-4-10-8-2-3-9(6-8)12(10)11/h4-5,8-12H,2-3,6H2,1H3
InChIKeyIWKVBDHPANGKEX-UHFFFAOYSA-N
XLogP2.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 3-tricyclo[5.2.1.02,6]dec-4-enyl acetate?
The IUPAC name of 3-tricyclo[5.2.1.02,6]dec-4-enyl acetate (CID 13495562) is 3-tricyclo[5.2.1.02,6]dec-4-enyl acetate.
What is the SMILES notation for 3-tricyclo[5.2.1.02,6]dec-4-enyl acetate?
The canonical SMILES for 3-tricyclo[5.2.1.02,6]dec-4-enyl acetate is CC(=O)OC1C=CC2C3CCC(C3)C12.
What is the InChIKey of 3-tricyclo[5.2.1.02,6]dec-4-enyl acetate?
The InChIKey is IWKVBDHPANGKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-7(13)14-11-5-4-10-8-2-3-9(6-8)12(10)11/h4-5,8-12H,2-3,6H2,1H3.
What are the key properties of 3-tricyclo[5.2.1.02,6]dec-4-enyl acetate?
3-tricyclo[5.2.1.02,6]dec-4-enyl acetate has a molecular weight of 192.26 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tricyclo[5.2.1.02,6]dec-4-enyl acetate is sourced from PubChem (CID 13495562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).