2-ethenyl-1,1-diethylcyclopropane

C9H16 — CID 57196111

IUPAC2-ethenyl-1,1-diethylcyclopropane
SMILESC=CC1CC1(CC)CC
InChIInChI=1S/C9H16/c1-4-8-7-9(8,5-2)6-3/h4,8H,1,5-7H2,2-3H3
InChIKeyLIPPRNGOUBTUPH-UHFFFAOYSA-N
MW124.23 g/mol
LogP3.00
Rot. Bonds3

About 2-ethenyl-1,1-diethylcyclopropane

2-ethenyl-1,1-diethylcyclopropane (PubChem CID 57196111) has the molecular formula C9H16 and a molecular weight of 124.23 g/mol. Its IUPAC name is 2-ethenyl-1,1-diethylcyclopropane.

Molecular Properties

Compound Name2-ethenyl-1,1-diethylcyclopropane
PubChem CID57196111
Molecular FormulaC9H16
Molecular Weight124.23 g/mol
Exact Mass124.13
IUPAC Name2-ethenyl-1,1-diethylcyclopropane
SMILESC=CC1CC1(CC)CC
InChIInChI=1S/C9H16/c1-4-8-7-9(8,5-2)6-3/h4,8H,1,5-7H2,2-3H3
InChIKeyLIPPRNGOUBTUPH-UHFFFAOYSA-N
XLogP3.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.23
LogP ≤ 53.00
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 2-ethenyl-1,1-diethylcyclopropane?
The IUPAC name of 2-ethenyl-1,1-diethylcyclopropane (CID 57196111) is 2-ethenyl-1,1-diethylcyclopropane.
What is the SMILES notation for 2-ethenyl-1,1-diethylcyclopropane?
The canonical SMILES for 2-ethenyl-1,1-diethylcyclopropane is C=CC1CC1(CC)CC.
What is the InChIKey of 2-ethenyl-1,1-diethylcyclopropane?
The InChIKey is LIPPRNGOUBTUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16/c1-4-8-7-9(8,5-2)6-3/h4,8H,1,5-7H2,2-3H3.
What are the key properties of 2-ethenyl-1,1-diethylcyclopropane?
2-ethenyl-1,1-diethylcyclopropane has a molecular weight of 124.23 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-1,1-diethylcyclopropane is sourced from PubChem (CID 57196111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).