1-ethyl-2-(2-methylpentan-2-yl)cyclopropene

C11H20 — CID 123774813

IUPAC1-ethyl-2-(2-methylpentan-2-yl)cyclopropene
SMILESCCCC(C)(C)C1=C(CC)C1
InChIInChI=1S/C11H20/c1-5-7-11(3,4)10-8-9(10)6-2/h5-8H2,1-4H3
InChIKeyXFJLIZLGNJBXAY-UHFFFAOYSA-N
MW152.28 g/mol
LogP3.92
Rot. Bonds4

About 1-ethyl-2-(2-methylpentan-2-yl)cyclopropene

1-ethyl-2-(2-methylpentan-2-yl)cyclopropene (PubChem CID 123774813) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is 1-ethyl-2-(2-methylpentan-2-yl)cyclopropene.

Molecular Properties

Compound Name1-ethyl-2-(2-methylpentan-2-yl)cyclopropene
PubChem CID123774813
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name1-ethyl-2-(2-methylpentan-2-yl)cyclopropene
SMILESCCCC(C)(C)C1=C(CC)C1
InChIInChI=1S/C11H20/c1-5-7-11(3,4)10-8-9(10)6-2/h5-8H2,1-4H3
InChIKeyXFJLIZLGNJBXAY-UHFFFAOYSA-N
XLogP3.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
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-2-(2-methylpentan-2-yl)cyclopropene?
The IUPAC name of 1-ethyl-2-(2-methylpentan-2-yl)cyclopropene (CID 123774813) is 1-ethyl-2-(2-methylpentan-2-yl)cyclopropene.
What is the SMILES notation for 1-ethyl-2-(2-methylpentan-2-yl)cyclopropene?
The canonical SMILES for 1-ethyl-2-(2-methylpentan-2-yl)cyclopropene is CCCC(C)(C)C1=C(CC)C1.
What is the InChIKey of 1-ethyl-2-(2-methylpentan-2-yl)cyclopropene?
The InChIKey is XFJLIZLGNJBXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20/c1-5-7-11(3,4)10-8-9(10)6-2/h5-8H2,1-4H3.
What are the key properties of 1-ethyl-2-(2-methylpentan-2-yl)cyclopropene?
1-ethyl-2-(2-methylpentan-2-yl)cyclopropene has a molecular weight of 152.28 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(2-methylpentan-2-yl)cyclopropene is sourced from PubChem (CID 123774813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).