(1S)-9-methoxytricyclo[5.2.1.02,6]dec-3-ene

C11H16O — CID 118202950

IUPAC(1S)-9-methoxytricyclo[5.2.1.02,6]dec-3-ene
SMILESCOC1CC2C[C@H]1C1C=CCC21
InChIInChI=1S/C11H16O/c1-12-11-6-7-5-10(11)9-4-2-3-8(7)9/h2,4,7-11H,3,5-6H2,1H3/t7?,8?,9?,10-,11?/m0/s1
InChIKeyQGIIMMFKVVKYGH-UIVJTFTRSA-N
MW164.25 g/mol
LogP2.23
Rot. Bonds1

About (1S)-9-methoxytricyclo[5.2.1.02,6]dec-3-ene

(1S)-9-methoxytricyclo[5.2.1.02,6]dec-3-ene (PubChem CID 118202950) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is (1S)-9-methoxytricyclo[5.2.1.02,6]dec-3-ene.

Molecular Properties

Compound Name(1S)-9-methoxytricyclo[5.2.1.02,6]dec-3-ene
PubChem CID118202950
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name(1S)-9-methoxytricyclo[5.2.1.02,6]dec-3-ene
SMILESCOC1CC2C[C@H]1C1C=CCC21
InChIInChI=1S/C11H16O/c1-12-11-6-7-5-10(11)9-4-2-3-8(7)9/h2,4,7-11H,3,5-6H2,1H3/t7?,8?,9?,10-,11?/m0/s1
InChIKeyQGIIMMFKVVKYGH-UIVJTFTRSA-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 (1S)-9-methoxytricyclo[5.2.1.02,6]dec-3-ene?
The IUPAC name of (1S)-9-methoxytricyclo[5.2.1.02,6]dec-3-ene (CID 118202950) is (1S)-9-methoxytricyclo[5.2.1.02,6]dec-3-ene.
What is the SMILES notation for (1S)-9-methoxytricyclo[5.2.1.02,6]dec-3-ene?
The canonical SMILES for (1S)-9-methoxytricyclo[5.2.1.02,6]dec-3-ene is COC1CC2C[C@H]1C1C=CCC21.
What is the InChIKey of (1S)-9-methoxytricyclo[5.2.1.02,6]dec-3-ene?
The InChIKey is QGIIMMFKVVKYGH-UIVJTFTRSA-N. The full InChI is InChI=1S/C11H16O/c1-12-11-6-7-5-10(11)9-4-2-3-8(7)9/h2,4,7-11H,3,5-6H2,1H3/t7?,8?,9?,10-,11?/m0/s1.
What are the key properties of (1S)-9-methoxytricyclo[5.2.1.02,6]dec-3-ene?
(1S)-9-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 (1S)-9-methoxytricyclo[5.2.1.02,6]dec-3-ene is sourced from PubChem (CID 118202950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).