1-ethyl-2-propan-2-ylidenecyclopropane

C8H14 — CID 71394610

IUPAC1-ethyl-2-propan-2-ylidenecyclopropane
SMILESCCC1CC1=C(C)C
InChIInChI=1S/C8H14/c1-4-7-5-8(7)6(2)3/h7H,4-5H2,1-3H3
InChIKeyIKXUNIYKJZZLBT-UHFFFAOYSA-N
MW110.20 g/mol
LogP2.75
Rot. Bonds1

About 1-ethyl-2-propan-2-ylidenecyclopropane

1-ethyl-2-propan-2-ylidenecyclopropane (PubChem CID 71394610) has the molecular formula C8H14 and a molecular weight of 110.20 g/mol. Its IUPAC name is 1-ethyl-2-propan-2-ylidenecyclopropane.

Molecular Properties

Compound Name1-ethyl-2-propan-2-ylidenecyclopropane
PubChem CID71394610
Molecular FormulaC8H14
Molecular Weight110.20 g/mol
Exact Mass110.11
IUPAC Name1-ethyl-2-propan-2-ylidenecyclopropane
SMILESCCC1CC1=C(C)C
InChIInChI=1S/C8H14/c1-4-7-5-8(7)6(2)3/h7H,4-5H2,1-3H3
InChIKeyIKXUNIYKJZZLBT-UHFFFAOYSA-N
XLogP2.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.20
LogP ≤ 52.75
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-ethyl-2-propan-2-ylidenecyclopropane?
The IUPAC name of 1-ethyl-2-propan-2-ylidenecyclopropane (CID 71394610) is 1-ethyl-2-propan-2-ylidenecyclopropane.
What is the SMILES notation for 1-ethyl-2-propan-2-ylidenecyclopropane?
The canonical SMILES for 1-ethyl-2-propan-2-ylidenecyclopropane is CCC1CC1=C(C)C.
What is the InChIKey of 1-ethyl-2-propan-2-ylidenecyclopropane?
The InChIKey is IKXUNIYKJZZLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14/c1-4-7-5-8(7)6(2)3/h7H,4-5H2,1-3H3.
What are the key properties of 1-ethyl-2-propan-2-ylidenecyclopropane?
1-ethyl-2-propan-2-ylidenecyclopropane has a molecular weight of 110.20 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-propan-2-ylidenecyclopropane is sourced from PubChem (CID 71394610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).