1-ethyl-3-methyl-2-(3-methylbutan-2-yl)cyclopropene

C11H20 — CID 91555101

IUPAC1-ethyl-3-methyl-2-(3-methylbutan-2-yl)cyclopropene
SMILESCCC1=C(C(C)C(C)C)C1C
InChIInChI=1S/C11H20/c1-6-10-9(5)11(10)8(4)7(2)3/h7-9H,6H2,1-5H3
InChIKeySGNKYFGNIFRUIR-UHFFFAOYSA-N
MW152.28 g/mol
LogP3.63
Rot. Bonds3

About 1-ethyl-3-methyl-2-(3-methylbutan-2-yl)cyclopropene

1-ethyl-3-methyl-2-(3-methylbutan-2-yl)cyclopropene (PubChem CID 91555101) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is 1-ethyl-3-methyl-2-(3-methylbutan-2-yl)cyclopropene.

Molecular Properties

Compound Name1-ethyl-3-methyl-2-(3-methylbutan-2-yl)cyclopropene
PubChem CID91555101
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name1-ethyl-3-methyl-2-(3-methylbutan-2-yl)cyclopropene
SMILESCCC1=C(C(C)C(C)C)C1C
InChIInChI=1S/C11H20/c1-6-10-9(5)11(10)8(4)7(2)3/h7-9H,6H2,1-5H3
InChIKeySGNKYFGNIFRUIR-UHFFFAOYSA-N
XLogP3.63
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 ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[(E,4R)-4-(2-ethyl-3-methylcyclopropen-1-yl)-3-methylpent-2-en-2-yl]-2-methylhydrazine
CID 174348510
2,3,5,6-tetraethylbicyclo[2.2.1]hepta-2,5-diene
CID 59476061
1,2,3,5-tetramethyl-4-[1-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)ethyl]cyclopenta-1,3-diene
CID 173219892
N,N-dimethyl-1-(2,3,4,5-tetraethylcyclopenta-2,4-dien-1-yl)ethanamine
CID 23297485
4,5,7,8-tetraethyl-2-oxabicyclo[4.2.0]octa-4,7-dien-3-one
CID 134919468
1-(3-ethyl-4,5-dimethylhexan-2-yl)-3-methylcyclopropene
CID 123476959
(4S)-5-ethyl-3-methylbicyclo[2.1.1]hex-1(5)-ene
CID 163416464
2,3-dimethylbutane;ethane;propane
CID 144519619
(3S)-1-tert-butyl-2-ethyl-3-methylcyclohexene
CID 142020116
2,3,4,5-tetraethyl-2,5-dihydrofuran
CID 22165884
1-hexan-3-yl-2,3-dimethylcyclopropene
CID 123742761
1-(3,4-dimethylpentan-2-yl)-2-ethyl-3-methylcyclopropane
CID 91327441

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-2-(3-methylbutan-2-yl)cyclopropene?
The IUPAC name of 1-ethyl-3-methyl-2-(3-methylbutan-2-yl)cyclopropene (CID 91555101) is 1-ethyl-3-methyl-2-(3-methylbutan-2-yl)cyclopropene.
What is the SMILES notation for 1-ethyl-3-methyl-2-(3-methylbutan-2-yl)cyclopropene?
The canonical SMILES for 1-ethyl-3-methyl-2-(3-methylbutan-2-yl)cyclopropene is CCC1=C(C(C)C(C)C)C1C.
What is the InChIKey of 1-ethyl-3-methyl-2-(3-methylbutan-2-yl)cyclopropene?
The InChIKey is SGNKYFGNIFRUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20/c1-6-10-9(5)11(10)8(4)7(2)3/h7-9H,6H2,1-5H3.
What are the key properties of 1-ethyl-3-methyl-2-(3-methylbutan-2-yl)cyclopropene?
1-ethyl-3-methyl-2-(3-methylbutan-2-yl)cyclopropene has a molecular weight of 152.28 g/mol, XLogP of 3.63, 3 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-(3-methylbutan-2-yl)cyclopropene is sourced from PubChem (CID 91555101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).