cis-(1S,2R)-1-ethenyl-2-ethoxycyclopropane

C7H12O — CID 71389327

IUPACcis-(1S,2R)-1-ethenyl-2-ethoxycyclopropane
SMILESC=C[C@@H]1C[C@H]1OCC
InChIInChI=1S/C7H12O/c1-3-6-5-7(6)8-4-2/h3,6-7H,1,4-5H2,2H3/t6-,7-/m1/s1
InChIKeyXZCOGEQTTXAQLI-RNFRBKRXSA-N
MW112.17 g/mol
LogP1.60
Rot. Bonds3

About cis-(1S,2R)-1-ethenyl-2-ethoxycyclopropane

cis-(1S,2R)-1-ethenyl-2-ethoxycyclopropane (PubChem CID 71389327) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is cis-(1S,2R)-1-ethenyl-2-ethoxycyclopropane.

Molecular Properties

Compound Namecis-(1S,2R)-1-ethenyl-2-ethoxycyclopropane
PubChem CID71389327
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Namecis-(1S,2R)-1-ethenyl-2-ethoxycyclopropane
SMILESC=C[C@@H]1C[C@H]1OCC
InChIInChI=1S/C7H12O/c1-3-6-5-7(6)8-4-2/h3,6-7H,1,4-5H2,2H3/t6-,7-/m1/s1
InChIKeyXZCOGEQTTXAQLI-RNFRBKRXSA-N
XLogP1.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.17
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 cis-(1S,2R)-1-ethenyl-2-ethoxycyclopropane?
The IUPAC name of cis-(1S,2R)-1-ethenyl-2-ethoxycyclopropane (CID 71389327) is cis-(1S,2R)-1-ethenyl-2-ethoxycyclopropane.
What is the SMILES notation for cis-(1S,2R)-1-ethenyl-2-ethoxycyclopropane?
The canonical SMILES for cis-(1S,2R)-1-ethenyl-2-ethoxycyclopropane is C=C[C@@H]1C[C@H]1OCC.
What is the InChIKey of cis-(1S,2R)-1-ethenyl-2-ethoxycyclopropane?
The InChIKey is XZCOGEQTTXAQLI-RNFRBKRXSA-N. The full InChI is InChI=1S/C7H12O/c1-3-6-5-7(6)8-4-2/h3,6-7H,1,4-5H2,2H3/t6-,7-/m1/s1.
What are the key properties of cis-(1S,2R)-1-ethenyl-2-ethoxycyclopropane?
cis-(1S,2R)-1-ethenyl-2-ethoxycyclopropane has a molecular weight of 112.17 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-1-ethenyl-2-ethoxycyclopropane is sourced from PubChem (CID 71389327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).