1-ethyl-1-methyl-2-pentan-2-ylidenecyclopropane

C11H20 — CID 173434122

IUPAC1-ethyl-1-methyl-2-pentan-2-ylidenecyclopropane
SMILESCCCC(C)=C1CC1(C)CC
InChIInChI=1S/C11H20/c1-5-7-9(3)10-8-11(10,4)6-2/h5-8H2,1-4H3
InChIKeyXRXSDHIBXBRQBY-UHFFFAOYSA-N
MW152.28 g/mol
LogP3.92
Rot. Bonds3

About 1-ethyl-1-methyl-2-pentan-2-ylidenecyclopropane

1-ethyl-1-methyl-2-pentan-2-ylidenecyclopropane (PubChem CID 173434122) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is 1-ethyl-1-methyl-2-pentan-2-ylidenecyclopropane.

Molecular Properties

Compound Name1-ethyl-1-methyl-2-pentan-2-ylidenecyclopropane
PubChem CID173434122
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name1-ethyl-1-methyl-2-pentan-2-ylidenecyclopropane
SMILESCCCC(C)=C1CC1(C)CC
InChIInChI=1S/C11H20/c1-5-7-9(3)10-8-11(10,4)6-2/h5-8H2,1-4H3
InChIKeyXRXSDHIBXBRQBY-UHFFFAOYSA-N
XLogP3.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 53.92
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-1-methyl-2-pentan-2-ylidenecyclopropane?
The IUPAC name of 1-ethyl-1-methyl-2-pentan-2-ylidenecyclopropane (CID 173434122) is 1-ethyl-1-methyl-2-pentan-2-ylidenecyclopropane.
What is the SMILES notation for 1-ethyl-1-methyl-2-pentan-2-ylidenecyclopropane?
The canonical SMILES for 1-ethyl-1-methyl-2-pentan-2-ylidenecyclopropane is CCCC(C)=C1CC1(C)CC.
What is the InChIKey of 1-ethyl-1-methyl-2-pentan-2-ylidenecyclopropane?
The InChIKey is XRXSDHIBXBRQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20/c1-5-7-9(3)10-8-11(10,4)6-2/h5-8H2,1-4H3.
What are the key properties of 1-ethyl-1-methyl-2-pentan-2-ylidenecyclopropane?
1-ethyl-1-methyl-2-pentan-2-ylidenecyclopropane has a molecular weight of 152.28 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-methyl-2-pentan-2-ylidenecyclopropane is sourced from PubChem (CID 173434122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).