8-ethenoxytricyclo[5.2.1.02,6]decane

C12H18O — CID 59813138

IUPAC8-ethenoxytricyclo[5.2.1.02,6]decane
SMILESC=COC1CC2CC1C1CCCC21
InChIInChI=1S/C12H18O/c1-2-13-12-7-8-6-11(12)10-5-3-4-9(8)10/h2,8-12H,1,3-7H2
InChIKeyPKTORKCIXKNVFR-UHFFFAOYSA-N
MW178.27 g/mol
LogP2.97
Rot. Bonds2

About 8-ethenoxytricyclo[5.2.1.02,6]decane

8-ethenoxytricyclo[5.2.1.02,6]decane (PubChem CID 59813138) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is 8-ethenoxytricyclo[5.2.1.02,6]decane.

Molecular Properties

Compound Name8-ethenoxytricyclo[5.2.1.02,6]decane
PubChem CID59813138
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Name8-ethenoxytricyclo[5.2.1.02,6]decane
SMILESC=COC1CC2CC1C1CCCC21
InChIInChI=1S/C12H18O/c1-2-13-12-7-8-6-11(12)10-5-3-4-9(8)10/h2,8-12H,1,3-7H2
InChIKeyPKTORKCIXKNVFR-UHFFFAOYSA-N
XLogP2.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-ethenoxytricyclo[5.2.1.02,6]decane?
The IUPAC name of 8-ethenoxytricyclo[5.2.1.02,6]decane (CID 59813138) is 8-ethenoxytricyclo[5.2.1.02,6]decane.
What is the SMILES notation for 8-ethenoxytricyclo[5.2.1.02,6]decane?
The canonical SMILES for 8-ethenoxytricyclo[5.2.1.02,6]decane is C=COC1CC2CC1C1CCCC21.
What is the InChIKey of 8-ethenoxytricyclo[5.2.1.02,6]decane?
The InChIKey is PKTORKCIXKNVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c1-2-13-12-7-8-6-11(12)10-5-3-4-9(8)10/h2,8-12H,1,3-7H2.
What are the key properties of 8-ethenoxytricyclo[5.2.1.02,6]decane?
8-ethenoxytricyclo[5.2.1.02,6]decane has a molecular weight of 178.27 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethenoxytricyclo[5.2.1.02,6]decane is sourced from PubChem (CID 59813138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).