3-methyl-3-propan-2-ylbicyclo[2.1.0]pent-1(5)-ene

C9H14 — CID 123641369

IUPAC3-methyl-3-propan-2-ylbicyclo[2.1.0]pent-1(5)-ene
SMILESCC(C)C1(C)CC2=CC21
InChIInChI=1S/C9H14/c1-6(2)9(3)5-7-4-8(7)9/h4,6,8H,5H2,1-3H3
InChIKeyWKWHYCRFGWYQKP-UHFFFAOYSA-N
MW122.21 g/mol
LogP2.61
Rot. Bonds1

About 3-methyl-3-propan-2-ylbicyclo[2.1.0]pent-1(5)-ene

3-methyl-3-propan-2-ylbicyclo[2.1.0]pent-1(5)-ene (PubChem CID 123641369) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is 3-methyl-3-propan-2-ylbicyclo[2.1.0]pent-1(5)-ene.

Molecular Properties

Compound Name3-methyl-3-propan-2-ylbicyclo[2.1.0]pent-1(5)-ene
PubChem CID123641369
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Name3-methyl-3-propan-2-ylbicyclo[2.1.0]pent-1(5)-ene
SMILESCC(C)C1(C)CC2=CC21
InChIInChI=1S/C9H14/c1-6(2)9(3)5-7-4-8(7)9/h4,6,8H,5H2,1-3H3
InChIKeyWKWHYCRFGWYQKP-UHFFFAOYSA-N
XLogP2.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.21
LogP ≤ 52.61
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 3-methyl-3-propan-2-ylbicyclo[2.1.0]pent-1(5)-ene?
The IUPAC name of 3-methyl-3-propan-2-ylbicyclo[2.1.0]pent-1(5)-ene (CID 123641369) is 3-methyl-3-propan-2-ylbicyclo[2.1.0]pent-1(5)-ene.
What is the SMILES notation for 3-methyl-3-propan-2-ylbicyclo[2.1.0]pent-1(5)-ene?
The canonical SMILES for 3-methyl-3-propan-2-ylbicyclo[2.1.0]pent-1(5)-ene is CC(C)C1(C)CC2=CC21.
What is the InChIKey of 3-methyl-3-propan-2-ylbicyclo[2.1.0]pent-1(5)-ene?
The InChIKey is WKWHYCRFGWYQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14/c1-6(2)9(3)5-7-4-8(7)9/h4,6,8H,5H2,1-3H3.
What are the key properties of 3-methyl-3-propan-2-ylbicyclo[2.1.0]pent-1(5)-ene?
3-methyl-3-propan-2-ylbicyclo[2.1.0]pent-1(5)-ene has a molecular weight of 122.21 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-propan-2-ylbicyclo[2.1.0]pent-1(5)-ene is sourced from PubChem (CID 123641369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).