[(6R)-8-tricyclo[5.2.1.02,6]dec-4-enyl] acetate

C12H16O2 — CID 89153529

IUPAC[(6R)-8-tricyclo[5.2.1.02,6]dec-4-enyl] acetate
SMILESCC(=O)OC1CC2CC1[C@@H]1C=CCC21
InChIInChI=1S/C12H16O2/c1-7(13)14-12-6-8-5-11(12)10-4-2-3-9(8)10/h2,4,8-12H,3,5-6H2,1H3/t8?,9?,10-,11?,12?/m1/s1
InChIKeyBJLRAKFWOUAROE-JWUQVZSFSA-N
MW192.26 g/mol
LogP2.15
Rot. Bonds1

About [(6R)-8-tricyclo[5.2.1.02,6]dec-4-enyl] acetate

[(6R)-8-tricyclo[5.2.1.02,6]dec-4-enyl] acetate (PubChem CID 89153529) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is [(6R)-8-tricyclo[5.2.1.02,6]dec-4-enyl] acetate.

Molecular Properties

Compound Name[(6R)-8-tricyclo[5.2.1.02,6]dec-4-enyl] acetate
PubChem CID89153529
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name[(6R)-8-tricyclo[5.2.1.02,6]dec-4-enyl] acetate
SMILESCC(=O)OC1CC2CC1[C@@H]1C=CCC21
InChIInChI=1S/C12H16O2/c1-7(13)14-12-6-8-5-11(12)10-4-2-3-9(8)10/h2,4,8-12H,3,5-6H2,1H3/t8?,9?,10-,11?,12?/m1/s1
InChIKeyBJLRAKFWOUAROE-JWUQVZSFSA-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 [(6R)-8-tricyclo[5.2.1.02,6]dec-4-enyl] acetate?
The IUPAC name of [(6R)-8-tricyclo[5.2.1.02,6]dec-4-enyl] acetate (CID 89153529) is [(6R)-8-tricyclo[5.2.1.02,6]dec-4-enyl] acetate.
What is the SMILES notation for [(6R)-8-tricyclo[5.2.1.02,6]dec-4-enyl] acetate?
The canonical SMILES for [(6R)-8-tricyclo[5.2.1.02,6]dec-4-enyl] acetate is CC(=O)OC1CC2CC1[C@@H]1C=CCC21.
What is the InChIKey of [(6R)-8-tricyclo[5.2.1.02,6]dec-4-enyl] acetate?
The InChIKey is BJLRAKFWOUAROE-JWUQVZSFSA-N. The full InChI is InChI=1S/C12H16O2/c1-7(13)14-12-6-8-5-11(12)10-4-2-3-9(8)10/h2,4,8-12H,3,5-6H2,1H3/t8?,9?,10-,11?,12?/m1/s1.
What are the key properties of [(6R)-8-tricyclo[5.2.1.02,6]dec-4-enyl] acetate?
[(6R)-8-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 [(6R)-8-tricyclo[5.2.1.02,6]dec-4-enyl] acetate is sourced from PubChem (CID 89153529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).