1-ethyl-3-methyl-2-pentan-2-ylcyclopropene

C11H20 — CID 91094087

IUPAC1-ethyl-3-methyl-2-pentan-2-ylcyclopropene
SMILESCCCC(C)C1=C(CC)C1C
InChIInChI=1S/C11H20/c1-5-7-8(3)11-9(4)10(11)6-2/h8-9H,5-7H2,1-4H3
InChIKeyLVFKMKSHOGHTAH-UHFFFAOYSA-N
MW152.28 g/mol
LogP3.78
Rot. Bonds4

About 1-ethyl-3-methyl-2-pentan-2-ylcyclopropene

1-ethyl-3-methyl-2-pentan-2-ylcyclopropene (PubChem CID 91094087) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is 1-ethyl-3-methyl-2-pentan-2-ylcyclopropene.

Molecular Properties

Compound Name1-ethyl-3-methyl-2-pentan-2-ylcyclopropene
PubChem CID91094087
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name1-ethyl-3-methyl-2-pentan-2-ylcyclopropene
SMILESCCCC(C)C1=C(CC)C1C
InChIInChI=1S/C11H20/c1-5-7-8(3)11-9(4)10(11)6-2/h8-9H,5-7H2,1-4H3
InChIKeyLVFKMKSHOGHTAH-UHFFFAOYSA-N
XLogP3.78
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 ≤ 53.78
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-3-methyl-2-pentan-2-ylcyclopropene?
The IUPAC name of 1-ethyl-3-methyl-2-pentan-2-ylcyclopropene (CID 91094087) is 1-ethyl-3-methyl-2-pentan-2-ylcyclopropene.
What is the SMILES notation for 1-ethyl-3-methyl-2-pentan-2-ylcyclopropene?
The canonical SMILES for 1-ethyl-3-methyl-2-pentan-2-ylcyclopropene is CCCC(C)C1=C(CC)C1C.
What is the InChIKey of 1-ethyl-3-methyl-2-pentan-2-ylcyclopropene?
The InChIKey is LVFKMKSHOGHTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20/c1-5-7-8(3)11-9(4)10(11)6-2/h8-9H,5-7H2,1-4H3.
What are the key properties of 1-ethyl-3-methyl-2-pentan-2-ylcyclopropene?
1-ethyl-3-methyl-2-pentan-2-ylcyclopropene has a molecular weight of 152.28 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-2-pentan-2-ylcyclopropene is sourced from PubChem (CID 91094087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).