(11R)-12-ethenyl-11-methoxytricyclo[6.3.1.02,7]dodeca-2,4,6,9-tetraene

C15H16O — CID 101075610

IUPAC(11R)-12-ethenyl-11-methoxytricyclo[6.3.1.02,7]dodeca-2,4,6,9-tetraene
SMILESC=CC1C2C=C[C@@H](OC)C1c1ccccc12
InChIInChI=1S/C15H16O/c1-3-10-12-8-9-14(16-2)15(10)13-7-5-4-6-11(12)13/h3-10,12,14-15H,1H2,2H3/t10?,12?,14-,15?/m1/s1
InChIKeyQARDWSKAFZVJFZ-SPWJRDSTSA-N
MW212.29 g/mol
LogP3.25
Rot. Bonds2

About (11R)-12-ethenyl-11-methoxytricyclo[6.3.1.02,7]dodeca-2,4,6,9-tetraene

(11R)-12-ethenyl-11-methoxytricyclo[6.3.1.02,7]dodeca-2,4,6,9-tetraene (PubChem CID 101075610) has the molecular formula C15H16O and a molecular weight of 212.29 g/mol. Its IUPAC name is (11R)-12-ethenyl-11-methoxytricyclo[6.3.1.02,7]dodeca-2,4,6,9-tetraene.

Molecular Properties

Compound Name(11R)-12-ethenyl-11-methoxytricyclo[6.3.1.02,7]dodeca-2,4,6,9-tetraene
PubChem CID101075610
Molecular FormulaC15H16O
Molecular Weight212.29 g/mol
Exact Mass212.12
IUPAC Name(11R)-12-ethenyl-11-methoxytricyclo[6.3.1.02,7]dodeca-2,4,6,9-tetraene
SMILESC=CC1C2C=C[C@@H](OC)C1c1ccccc12
InChIInChI=1S/C15H16O/c1-3-10-12-8-9-14(16-2)15(10)13-7-5-4-6-11(12)13/h3-10,12,14-15H,1H2,2H3/t10?,12?,14-,15?/m1/s1
InChIKeyQARDWSKAFZVJFZ-SPWJRDSTSA-N
XLogP3.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 53.25
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 (11R)-12-ethenyl-11-methoxytricyclo[6.3.1.02,7]dodeca-2,4,6,9-tetraene?
The IUPAC name of (11R)-12-ethenyl-11-methoxytricyclo[6.3.1.02,7]dodeca-2,4,6,9-tetraene (CID 101075610) is (11R)-12-ethenyl-11-methoxytricyclo[6.3.1.02,7]dodeca-2,4,6,9-tetraene.
What is the SMILES notation for (11R)-12-ethenyl-11-methoxytricyclo[6.3.1.02,7]dodeca-2,4,6,9-tetraene?
The canonical SMILES for (11R)-12-ethenyl-11-methoxytricyclo[6.3.1.02,7]dodeca-2,4,6,9-tetraene is C=CC1C2C=C[C@@H](OC)C1c1ccccc12.
What is the InChIKey of (11R)-12-ethenyl-11-methoxytricyclo[6.3.1.02,7]dodeca-2,4,6,9-tetraene?
The InChIKey is QARDWSKAFZVJFZ-SPWJRDSTSA-N. The full InChI is InChI=1S/C15H16O/c1-3-10-12-8-9-14(16-2)15(10)13-7-5-4-6-11(12)13/h3-10,12,14-15H,1H2,2H3/t10?,12?,14-,15?/m1/s1.
What are the key properties of (11R)-12-ethenyl-11-methoxytricyclo[6.3.1.02,7]dodeca-2,4,6,9-tetraene?
(11R)-12-ethenyl-11-methoxytricyclo[6.3.1.02,7]dodeca-2,4,6,9-tetraene has a molecular weight of 212.29 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (11R)-12-ethenyl-11-methoxytricyclo[6.3.1.02,7]dodeca-2,4,6,9-tetraene is sourced from PubChem (CID 101075610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).