2-propan-2-ylidene-4-propylbicyclo[1.1.0]butane

C10H16 — CID 123631250

IUPAC2-propan-2-ylidene-4-propylbicyclo[1.1.0]butane
SMILESCCCC1C2C(=C(C)C)C12
InChIInChI=1S/C10H16/c1-4-5-7-9-8(6(2)3)10(7)9/h7,9-10H,4-5H2,1-3H3
InChIKeyIICYXXHYJAXYDV-UHFFFAOYSA-N
MW136.24 g/mol
LogP3.00
Rot. Bonds2

About 2-propan-2-ylidene-4-propylbicyclo[1.1.0]butane

2-propan-2-ylidene-4-propylbicyclo[1.1.0]butane (PubChem CID 123631250) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is 2-propan-2-ylidene-4-propylbicyclo[1.1.0]butane.

Molecular Properties

Compound Name2-propan-2-ylidene-4-propylbicyclo[1.1.0]butane
PubChem CID123631250
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name2-propan-2-ylidene-4-propylbicyclo[1.1.0]butane
SMILESCCCC1C2C(=C(C)C)C12
InChIInChI=1S/C10H16/c1-4-5-7-9-8(6(2)3)10(7)9/h7,9-10H,4-5H2,1-3H3
InChIKeyIICYXXHYJAXYDV-UHFFFAOYSA-N
XLogP3.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 53.00
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-propan-2-ylidene-4-propylbicyclo[1.1.0]butane?
The IUPAC name of 2-propan-2-ylidene-4-propylbicyclo[1.1.0]butane (CID 123631250) is 2-propan-2-ylidene-4-propylbicyclo[1.1.0]butane.
What is the SMILES notation for 2-propan-2-ylidene-4-propylbicyclo[1.1.0]butane?
The canonical SMILES for 2-propan-2-ylidene-4-propylbicyclo[1.1.0]butane is CCCC1C2C(=C(C)C)C12.
What is the InChIKey of 2-propan-2-ylidene-4-propylbicyclo[1.1.0]butane?
The InChIKey is IICYXXHYJAXYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16/c1-4-5-7-9-8(6(2)3)10(7)9/h7,9-10H,4-5H2,1-3H3.
What are the key properties of 2-propan-2-ylidene-4-propylbicyclo[1.1.0]butane?
2-propan-2-ylidene-4-propylbicyclo[1.1.0]butane has a molecular weight of 136.24 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylidene-4-propylbicyclo[1.1.0]butane is sourced from PubChem (CID 123631250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).