2-butyl-1-ethenyl-1-methylcyclopropane

C10H18 — CID 91273942

IUPAC2-butyl-1-ethenyl-1-methylcyclopropane
SMILESC=CC1(C)CC1CCCC
InChIInChI=1S/C10H18/c1-4-6-7-9-8-10(9,3)5-2/h5,9H,2,4,6-8H2,1,3H3
InChIKeyWQBGLYVIWKJJFU-UHFFFAOYSA-N
MW138.25 g/mol
LogP3.39
Rot. Bonds4

About 2-butyl-1-ethenyl-1-methylcyclopropane

2-butyl-1-ethenyl-1-methylcyclopropane (PubChem CID 91273942) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is 2-butyl-1-ethenyl-1-methylcyclopropane.

Molecular Properties

Compound Name2-butyl-1-ethenyl-1-methylcyclopropane
PubChem CID91273942
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name2-butyl-1-ethenyl-1-methylcyclopropane
SMILESC=CC1(C)CC1CCCC
InChIInChI=1S/C10H18/c1-4-6-7-9-8-10(9,3)5-2/h5,9H,2,4,6-8H2,1,3H3
InChIKeyWQBGLYVIWKJJFU-UHFFFAOYSA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.39
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 2-butyl-1-ethenyl-1-methylcyclopropane?
The IUPAC name of 2-butyl-1-ethenyl-1-methylcyclopropane (CID 91273942) is 2-butyl-1-ethenyl-1-methylcyclopropane.
What is the SMILES notation for 2-butyl-1-ethenyl-1-methylcyclopropane?
The canonical SMILES for 2-butyl-1-ethenyl-1-methylcyclopropane is C=CC1(C)CC1CCCC.
What is the InChIKey of 2-butyl-1-ethenyl-1-methylcyclopropane?
The InChIKey is WQBGLYVIWKJJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18/c1-4-6-7-9-8-10(9,3)5-2/h5,9H,2,4,6-8H2,1,3H3.
What are the key properties of 2-butyl-1-ethenyl-1-methylcyclopropane?
2-butyl-1-ethenyl-1-methylcyclopropane has a molecular weight of 138.25 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-ethenyl-1-methylcyclopropane is sourced from PubChem (CID 91273942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).