(4R,5R)-4-methoxy-1-methylbicyclo[3.1.0]hex-2-ene

C8H12O — CID 152979839

IUPAC(4R,5R)-4-methoxy-1-methylbicyclo[3.1.0]hex-2-ene
SMILESCO[C@@H]1C=CC2(C)C[C@@H]12
InChIInChI=1S/C8H12O/c1-8-4-3-7(9-2)6(8)5-8/h3-4,6-7H,5H2,1-2H3/t6-,7+,8?/m0/s1
InChIKeyUUDOKIFFQKGOQM-KJFJCRTCSA-N
MW124.18 g/mol
LogP1.60
Rot. Bonds1

About (4R,5R)-4-methoxy-1-methylbicyclo[3.1.0]hex-2-ene

(4R,5R)-4-methoxy-1-methylbicyclo[3.1.0]hex-2-ene (PubChem CID 152979839) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is (4R,5R)-4-methoxy-1-methylbicyclo[3.1.0]hex-2-ene.

Molecular Properties

Compound Name(4R,5R)-4-methoxy-1-methylbicyclo[3.1.0]hex-2-ene
PubChem CID152979839
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name(4R,5R)-4-methoxy-1-methylbicyclo[3.1.0]hex-2-ene
SMILESCO[C@@H]1C=CC2(C)C[C@@H]12
InChIInChI=1S/C8H12O/c1-8-4-3-7(9-2)6(8)5-8/h3-4,6-7H,5H2,1-2H3/t6-,7+,8?/m0/s1
InChIKeyUUDOKIFFQKGOQM-KJFJCRTCSA-N
XLogP1.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 51.60
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 (4R,5R)-4-methoxy-1-methylbicyclo[3.1.0]hex-2-ene?
The IUPAC name of (4R,5R)-4-methoxy-1-methylbicyclo[3.1.0]hex-2-ene (CID 152979839) is (4R,5R)-4-methoxy-1-methylbicyclo[3.1.0]hex-2-ene.
What is the SMILES notation for (4R,5R)-4-methoxy-1-methylbicyclo[3.1.0]hex-2-ene?
The canonical SMILES for (4R,5R)-4-methoxy-1-methylbicyclo[3.1.0]hex-2-ene is CO[C@@H]1C=CC2(C)C[C@@H]12.
What is the InChIKey of (4R,5R)-4-methoxy-1-methylbicyclo[3.1.0]hex-2-ene?
The InChIKey is UUDOKIFFQKGOQM-KJFJCRTCSA-N. The full InChI is InChI=1S/C8H12O/c1-8-4-3-7(9-2)6(8)5-8/h3-4,6-7H,5H2,1-2H3/t6-,7+,8?/m0/s1.
What are the key properties of (4R,5R)-4-methoxy-1-methylbicyclo[3.1.0]hex-2-ene?
(4R,5R)-4-methoxy-1-methylbicyclo[3.1.0]hex-2-ene has a molecular weight of 124.18 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-methoxy-1-methylbicyclo[3.1.0]hex-2-ene is sourced from PubChem (CID 152979839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).