4-ethenyl-2-ethyl-2-methylbicyclo[1.1.0]butane

C9H14 — CID 90739297

IUPAC4-ethenyl-2-ethyl-2-methylbicyclo[1.1.0]butane
SMILESC=CC1C2C1C2(C)CC
InChIInChI=1S/C9H14/c1-4-6-7-8(6)9(7,3)5-2/h4,6-8H,1,5H2,2-3H3
InChIKeyRDLKRAHTQNZGKY-UHFFFAOYSA-N
MW122.21 g/mol
LogP2.46
Rot. Bonds2

About 4-ethenyl-2-ethyl-2-methylbicyclo[1.1.0]butane

4-ethenyl-2-ethyl-2-methylbicyclo[1.1.0]butane (PubChem CID 90739297) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is 4-ethenyl-2-ethyl-2-methylbicyclo[1.1.0]butane.

Molecular Properties

Compound Name4-ethenyl-2-ethyl-2-methylbicyclo[1.1.0]butane
PubChem CID90739297
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Name4-ethenyl-2-ethyl-2-methylbicyclo[1.1.0]butane
SMILESC=CC1C2C1C2(C)CC
InChIInChI=1S/C9H14/c1-4-6-7-8(6)9(7,3)5-2/h4,6-8H,1,5H2,2-3H3
InChIKeyRDLKRAHTQNZGKY-UHFFFAOYSA-N
XLogP2.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.21
LogP ≤ 52.46
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 4-ethenyl-2-ethyl-2-methylbicyclo[1.1.0]butane?
The IUPAC name of 4-ethenyl-2-ethyl-2-methylbicyclo[1.1.0]butane (CID 90739297) is 4-ethenyl-2-ethyl-2-methylbicyclo[1.1.0]butane.
What is the SMILES notation for 4-ethenyl-2-ethyl-2-methylbicyclo[1.1.0]butane?
The canonical SMILES for 4-ethenyl-2-ethyl-2-methylbicyclo[1.1.0]butane is C=CC1C2C1C2(C)CC.
What is the InChIKey of 4-ethenyl-2-ethyl-2-methylbicyclo[1.1.0]butane?
The InChIKey is RDLKRAHTQNZGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14/c1-4-6-7-8(6)9(7,3)5-2/h4,6-8H,1,5H2,2-3H3.
What are the key properties of 4-ethenyl-2-ethyl-2-methylbicyclo[1.1.0]butane?
4-ethenyl-2-ethyl-2-methylbicyclo[1.1.0]butane has a molecular weight of 122.21 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-2-ethyl-2-methylbicyclo[1.1.0]butane is sourced from PubChem (CID 90739297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).