[(1R)-6-hydroxy-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] formate

C12H12O3 — CID 146215731

IUPAC[(1R)-6-hydroxy-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] formate
SMILESO=COc1ccc(O)c2c1[C@@H]1CCC2C1
InChIInChI=1S/C12H12O3/c13-6-15-10-4-3-9(14)11-7-1-2-8(5-7)12(10)11/h3-4,6-8,14H,1-2,5H2/t7?,8-/m1/s1
InChIKeyFWFDHCMJRZFHCH-BRFYHDHCSA-N
MW204.23 g/mol
LogP2.29
Rot. Bonds2

About [(1R)-6-hydroxy-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] formate

[(1R)-6-hydroxy-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] formate (PubChem CID 146215731) has the molecular formula C12H12O3 and a molecular weight of 204.23 g/mol. Its IUPAC name is [(1R)-6-hydroxy-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] formate.

Molecular Properties

Compound Name[(1R)-6-hydroxy-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] formate
PubChem CID146215731
Molecular FormulaC12H12O3
Molecular Weight204.23 g/mol
Exact Mass204.08
IUPAC Name[(1R)-6-hydroxy-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] formate
SMILESO=COc1ccc(O)c2c1[C@@H]1CCC2C1
InChIInChI=1S/C12H12O3/c13-6-15-10-4-3-9(14)11-7-1-2-8(5-7)12(10)11/h3-4,6-8,14H,1-2,5H2/t7?,8-/m1/s1
InChIKeyFWFDHCMJRZFHCH-BRFYHDHCSA-N
XLogP2.29
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1R)-6-hydroxy-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] formate?
The IUPAC name of [(1R)-6-hydroxy-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] formate (CID 146215731) is [(1R)-6-hydroxy-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] formate.
What is the SMILES notation for [(1R)-6-hydroxy-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] formate?
The canonical SMILES for [(1R)-6-hydroxy-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] formate is O=COc1ccc(O)c2c1[C@@H]1CCC2C1.
What is the InChIKey of [(1R)-6-hydroxy-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] formate?
The InChIKey is FWFDHCMJRZFHCH-BRFYHDHCSA-N. The full InChI is InChI=1S/C12H12O3/c13-6-15-10-4-3-9(14)11-7-1-2-8(5-7)12(10)11/h3-4,6-8,14H,1-2,5H2/t7?,8-/m1/s1.
What are the key properties of [(1R)-6-hydroxy-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] formate?
[(1R)-6-hydroxy-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] formate has a molecular weight of 204.23 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-6-hydroxy-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] formate is sourced from PubChem (CID 146215731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).