(2R,3S)-2,3-dimethylbicyclo[2.2.0]hex-1(4)-ene

C8H12 — CID 102070910

IUPAC(2R,3S)-2,3-dimethylbicyclo[2.2.0]hex-1(4)-ene
SMILESC[C@@H]1C2=C(CC2)[C@@H]1C
InChIInChI=1S/C8H12/c1-5-6(2)8-4-3-7(5)8/h5-6H,3-4H2,1-2H3/t5-,6+
InChIKeyILOFZVVALXIOGA-OLQVQODUSA-N
MW108.18 g/mol
LogP2.36
Rot. Bonds

About (2R,3S)-2,3-dimethylbicyclo[2.2.0]hex-1(4)-ene

(2R,3S)-2,3-dimethylbicyclo[2.2.0]hex-1(4)-ene (PubChem CID 102070910) has the molecular formula C8H12 and a molecular weight of 108.18 g/mol. Its IUPAC name is (2R,3S)-2,3-dimethylbicyclo[2.2.0]hex-1(4)-ene.

Molecular Properties

Compound Name(2R,3S)-2,3-dimethylbicyclo[2.2.0]hex-1(4)-ene
PubChem CID102070910
Molecular FormulaC8H12
Molecular Weight108.18 g/mol
Exact Mass108.09
IUPAC Name(2R,3S)-2,3-dimethylbicyclo[2.2.0]hex-1(4)-ene
SMILESC[C@@H]1C2=C(CC2)[C@@H]1C
InChIInChI=1S/C8H12/c1-5-6(2)8-4-3-7(5)8/h5-6H,3-4H2,1-2H3/t5-,6+
InChIKeyILOFZVVALXIOGA-OLQVQODUSA-N
XLogP2.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.18
LogP ≤ 52.36
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 (2R,3S)-2,3-dimethylbicyclo[2.2.0]hex-1(4)-ene?
The IUPAC name of (2R,3S)-2,3-dimethylbicyclo[2.2.0]hex-1(4)-ene (CID 102070910) is (2R,3S)-2,3-dimethylbicyclo[2.2.0]hex-1(4)-ene.
What is the SMILES notation for (2R,3S)-2,3-dimethylbicyclo[2.2.0]hex-1(4)-ene?
The canonical SMILES for (2R,3S)-2,3-dimethylbicyclo[2.2.0]hex-1(4)-ene is C[C@@H]1C2=C(CC2)[C@@H]1C.
What is the InChIKey of (2R,3S)-2,3-dimethylbicyclo[2.2.0]hex-1(4)-ene?
The InChIKey is ILOFZVVALXIOGA-OLQVQODUSA-N. The full InChI is InChI=1S/C8H12/c1-5-6(2)8-4-3-7(5)8/h5-6H,3-4H2,1-2H3/t5-,6+.
What are the key properties of (2R,3S)-2,3-dimethylbicyclo[2.2.0]hex-1(4)-ene?
(2R,3S)-2,3-dimethylbicyclo[2.2.0]hex-1(4)-ene has a molecular weight of 108.18 g/mol, XLogP of 2.36, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2,3-dimethylbicyclo[2.2.0]hex-1(4)-ene is sourced from PubChem (CID 102070910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).