(1R,4S,5R,6R)-5,6-dimethylbicyclo[2.2.2]oct-2-ene

C10H16 — CID 59956778

IUPAC(1R,4S,5R,6R)-5,6-dimethylbicyclo[2.2.2]oct-2-ene
SMILESC[C@@H]1[C@@H](C)[C@H]2C=C[C@@H]1CC2
InChIInChI=1S/C10H16/c1-7-8(2)10-5-3-9(7)4-6-10/h3,5,7-10H,4,6H2,1-2H3/t7-,8-,9-,10+/m1/s1
InChIKeyAAWWHEUMYOUOKG-KYXWUPHJSA-N
MW136.24 g/mol
LogP2.85
Rot. Bonds

About (1R,4S,5R,6R)-5,6-dimethylbicyclo[2.2.2]oct-2-ene

(1R,4S,5R,6R)-5,6-dimethylbicyclo[2.2.2]oct-2-ene (PubChem CID 59956778) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is (1R,4S,5R,6R)-5,6-dimethylbicyclo[2.2.2]oct-2-ene.

Molecular Properties

Compound Name(1R,4S,5R,6R)-5,6-dimethylbicyclo[2.2.2]oct-2-ene
PubChem CID59956778
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name(1R,4S,5R,6R)-5,6-dimethylbicyclo[2.2.2]oct-2-ene
SMILESC[C@@H]1[C@@H](C)[C@H]2C=C[C@@H]1CC2
InChIInChI=1S/C10H16/c1-7-8(2)10-5-3-9(7)4-6-10/h3,5,7-10H,4,6H2,1-2H3/t7-,8-,9-,10+/m1/s1
InChIKeyAAWWHEUMYOUOKG-KYXWUPHJSA-N
XLogP2.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 (1R,4S,5R,6R)-5,6-dimethylbicyclo[2.2.2]oct-2-ene?
The IUPAC name of (1R,4S,5R,6R)-5,6-dimethylbicyclo[2.2.2]oct-2-ene (CID 59956778) is (1R,4S,5R,6R)-5,6-dimethylbicyclo[2.2.2]oct-2-ene.
What is the SMILES notation for (1R,4S,5R,6R)-5,6-dimethylbicyclo[2.2.2]oct-2-ene?
The canonical SMILES for (1R,4S,5R,6R)-5,6-dimethylbicyclo[2.2.2]oct-2-ene is C[C@@H]1[C@@H](C)[C@H]2C=C[C@@H]1CC2.
What is the InChIKey of (1R,4S,5R,6R)-5,6-dimethylbicyclo[2.2.2]oct-2-ene?
The InChIKey is AAWWHEUMYOUOKG-KYXWUPHJSA-N. The full InChI is InChI=1S/C10H16/c1-7-8(2)10-5-3-9(7)4-6-10/h3,5,7-10H,4,6H2,1-2H3/t7-,8-,9-,10+/m1/s1.
What are the key properties of (1R,4S,5R,6R)-5,6-dimethylbicyclo[2.2.2]oct-2-ene?
(1R,4S,5R,6R)-5,6-dimethylbicyclo[2.2.2]oct-2-ene has a molecular weight of 136.24 g/mol, XLogP of 2.85, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S,5R,6R)-5,6-dimethylbicyclo[2.2.2]oct-2-ene is sourced from PubChem (CID 59956778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).