trans-(1R,2R)-1-(1-methoxyethenyl)-2-methylcyclopropane

C7H12O — CID 129256160

IUPACtrans-(1R,2R)-1-(1-methoxyethenyl)-2-methylcyclopropane
SMILESC=C(OC)[C@@H]1C[C@H]1C
InChIInChI=1S/C7H12O/c1-5-4-7(5)6(2)8-3/h5,7H,2,4H2,1,3H3/t5-,7-/m1/s1
InChIKeyLEHGIXOLHZHCRT-IYSWYEEDSA-N
MW112.17 g/mol
LogP1.80
Rot. Bonds2

About trans-(1R,2R)-1-(1-methoxyethenyl)-2-methylcyclopropane

trans-(1R,2R)-1-(1-methoxyethenyl)-2-methylcyclopropane (PubChem CID 129256160) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is trans-(1R,2R)-1-(1-methoxyethenyl)-2-methylcyclopropane.

Molecular Properties

Compound Nametrans-(1R,2R)-1-(1-methoxyethenyl)-2-methylcyclopropane
PubChem CID129256160
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Nametrans-(1R,2R)-1-(1-methoxyethenyl)-2-methylcyclopropane
SMILESC=C(OC)[C@@H]1C[C@H]1C
InChIInChI=1S/C7H12O/c1-5-4-7(5)6(2)8-3/h5,7H,2,4H2,1,3H3/t5-,7-/m1/s1
InChIKeyLEHGIXOLHZHCRT-IYSWYEEDSA-N
XLogP1.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.17
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-1-(1-methoxyethenyl)-2-methylcyclopropane?
The IUPAC name of trans-(1R,2R)-1-(1-methoxyethenyl)-2-methylcyclopropane (CID 129256160) is trans-(1R,2R)-1-(1-methoxyethenyl)-2-methylcyclopropane.
What is the SMILES notation for trans-(1R,2R)-1-(1-methoxyethenyl)-2-methylcyclopropane?
The canonical SMILES for trans-(1R,2R)-1-(1-methoxyethenyl)-2-methylcyclopropane is C=C(OC)[C@@H]1C[C@H]1C.
What is the InChIKey of trans-(1R,2R)-1-(1-methoxyethenyl)-2-methylcyclopropane?
The InChIKey is LEHGIXOLHZHCRT-IYSWYEEDSA-N. The full InChI is InChI=1S/C7H12O/c1-5-4-7(5)6(2)8-3/h5,7H,2,4H2,1,3H3/t5-,7-/m1/s1.
What are the key properties of trans-(1R,2R)-1-(1-methoxyethenyl)-2-methylcyclopropane?
trans-(1R,2R)-1-(1-methoxyethenyl)-2-methylcyclopropane has a molecular weight of 112.17 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-1-(1-methoxyethenyl)-2-methylcyclopropane is sourced from PubChem (CID 129256160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).