8-methoxytricyclo[5.2.1.02,6]dec-3-ene

C11H16O — CID 20727446

IUPAC8-methoxytricyclo[5.2.1.02,6]dec-3-ene
SMILESCOC1CC2CC1C1CC=CC21
InChIInChI=1S/C11H16O/c1-12-11-6-7-5-10(11)9-4-2-3-8(7)9/h2-3,7-11H,4-6H2,1H3
InChIKeyBWSXMZBSPFYLHZ-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.23
Rot. Bonds1

About 8-methoxytricyclo[5.2.1.02,6]dec-3-ene

8-methoxytricyclo[5.2.1.02,6]dec-3-ene (PubChem CID 20727446) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 8-methoxytricyclo[5.2.1.02,6]dec-3-ene.

Molecular Properties

Compound Name8-methoxytricyclo[5.2.1.02,6]dec-3-ene
PubChem CID20727446
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name8-methoxytricyclo[5.2.1.02,6]dec-3-ene
SMILESCOC1CC2CC1C1CC=CC21
InChIInChI=1S/C11H16O/c1-12-11-6-7-5-10(11)9-4-2-3-8(7)9/h2-3,7-11H,4-6H2,1H3
InChIKeyBWSXMZBSPFYLHZ-UHFFFAOYSA-N
XLogP2.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 8-methoxytricyclo[5.2.1.02,6]dec-3-ene?
The IUPAC name of 8-methoxytricyclo[5.2.1.02,6]dec-3-ene (CID 20727446) is 8-methoxytricyclo[5.2.1.02,6]dec-3-ene.
What is the SMILES notation for 8-methoxytricyclo[5.2.1.02,6]dec-3-ene?
The canonical SMILES for 8-methoxytricyclo[5.2.1.02,6]dec-3-ene is COC1CC2CC1C1CC=CC21.
What is the InChIKey of 8-methoxytricyclo[5.2.1.02,6]dec-3-ene?
The InChIKey is BWSXMZBSPFYLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c1-12-11-6-7-5-10(11)9-4-2-3-8(7)9/h2-3,7-11H,4-6H2,1H3.
What are the key properties of 8-methoxytricyclo[5.2.1.02,6]dec-3-ene?
8-methoxytricyclo[5.2.1.02,6]dec-3-ene has a molecular weight of 164.25 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxytricyclo[5.2.1.02,6]dec-3-ene is sourced from PubChem (CID 20727446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).