2-methylidenebutylcyclopropane

C8H14 — CID 548884

IUPAC2-methylidenebutylcyclopropane
SMILESC=C(CC)CC1CC1
InChIInChI=1S/C8H14/c1-3-7(2)6-8-4-5-8/h8H,2-6H2,1H3
InChIKeyBXEIWHJSYXOQSA-UHFFFAOYSA-N
MW110.20 g/mol
LogP2.75
Rot. Bonds3

About 2-methylidenebutylcyclopropane

2-methylidenebutylcyclopropane (PubChem CID 548884) has the molecular formula C8H14 and a molecular weight of 110.20 g/mol. Its IUPAC name is 2-methylidenebutylcyclopropane.

Molecular Properties

Compound Name2-methylidenebutylcyclopropane
PubChem CID548884
Molecular FormulaC8H14
Molecular Weight110.20 g/mol
Exact Mass110.11
IUPAC Name2-methylidenebutylcyclopropane
SMILESC=C(CC)CC1CC1
InChIInChI=1S/C8H14/c1-3-7(2)6-8-4-5-8/h8H,2-6H2,1H3
InChIKeyBXEIWHJSYXOQSA-UHFFFAOYSA-N
XLogP2.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.20
LogP ≤ 52.75
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-methylidenebutylcyclopropane?
The IUPAC name of 2-methylidenebutylcyclopropane (CID 548884) is 2-methylidenebutylcyclopropane.
What is the SMILES notation for 2-methylidenebutylcyclopropane?
The canonical SMILES for 2-methylidenebutylcyclopropane is C=C(CC)CC1CC1.
What is the InChIKey of 2-methylidenebutylcyclopropane?
The InChIKey is BXEIWHJSYXOQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14/c1-3-7(2)6-8-4-5-8/h8H,2-6H2,1H3.
What are the key properties of 2-methylidenebutylcyclopropane?
2-methylidenebutylcyclopropane has a molecular weight of 110.20 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidenebutylcyclopropane is sourced from PubChem (CID 548884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).