1-ethenyl-2-ethyl-3-methylcyclopropane

C8H14 — CID 123584424

IUPAC1-ethenyl-2-ethyl-3-methylcyclopropane
SMILESC=CC1C(C)C1CC
InChIInChI=1S/C8H14/c1-4-7-6(3)8(7)5-2/h4,6-8H,1,5H2,2-3H3
InChIKeyXGYYAPLTWDECLD-UHFFFAOYSA-N
MW110.20 g/mol
LogP2.46
Rot. Bonds2

About 1-ethenyl-2-ethyl-3-methylcyclopropane

1-ethenyl-2-ethyl-3-methylcyclopropane (PubChem CID 123584424) has the molecular formula C8H14 and a molecular weight of 110.20 g/mol. Its IUPAC name is 1-ethenyl-2-ethyl-3-methylcyclopropane.

Molecular Properties

Compound Name1-ethenyl-2-ethyl-3-methylcyclopropane
PubChem CID123584424
Molecular FormulaC8H14
Molecular Weight110.20 g/mol
Exact Mass110.11
IUPAC Name1-ethenyl-2-ethyl-3-methylcyclopropane
SMILESC=CC1C(C)C1CC
InChIInChI=1S/C8H14/c1-4-7-6(3)8(7)5-2/h4,6-8H,1,5H2,2-3H3
InChIKeyXGYYAPLTWDECLD-UHFFFAOYSA-N
XLogP2.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.20
LogP ≤ 52.46
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 1-ethenyl-2-ethyl-3-methylcyclopropane?
The IUPAC name of 1-ethenyl-2-ethyl-3-methylcyclopropane (CID 123584424) is 1-ethenyl-2-ethyl-3-methylcyclopropane.
What is the SMILES notation for 1-ethenyl-2-ethyl-3-methylcyclopropane?
The canonical SMILES for 1-ethenyl-2-ethyl-3-methylcyclopropane is C=CC1C(C)C1CC.
What is the InChIKey of 1-ethenyl-2-ethyl-3-methylcyclopropane?
The InChIKey is XGYYAPLTWDECLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14/c1-4-7-6(3)8(7)5-2/h4,6-8H,1,5H2,2-3H3.
What are the key properties of 1-ethenyl-2-ethyl-3-methylcyclopropane?
1-ethenyl-2-ethyl-3-methylcyclopropane has a molecular weight of 110.20 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2-ethyl-3-methylcyclopropane is sourced from PubChem (CID 123584424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).