bicyclo[3.2.2]nona-1(7),3-diene

C9H12 — CID 90933303

IUPACbicyclo[3.2.2]nona-1(7),3-diene
SMILESC1=CC2CC=C(C1)CC2
InChIInChI=1S/C9H12/c1-2-8-4-6-9(3-1)7-5-8/h1-2,6,8H,3-5,7H2
InChIKeyOXIKPBKYGSINFO-UHFFFAOYSA-N
MW120.19 g/mol
LogP2.67
Rot. Bonds

About bicyclo[3.2.2]nona-1(7),3-diene

bicyclo[3.2.2]nona-1(7),3-diene (PubChem CID 90933303) has the molecular formula C9H12 and a molecular weight of 120.19 g/mol. Its IUPAC name is bicyclo[3.2.2]nona-1(7),3-diene.

Molecular Properties

Compound Namebicyclo[3.2.2]nona-1(7),3-diene
PubChem CID90933303
Molecular FormulaC9H12
Molecular Weight120.19 g/mol
Exact Mass120.09
IUPAC Namebicyclo[3.2.2]nona-1(7),3-diene
SMILESC1=CC2CC=C(C1)CC2
InChIInChI=1S/C9H12/c1-2-8-4-6-9(3-1)7-5-8/h1-2,6,8H,3-5,7H2
InChIKeyOXIKPBKYGSINFO-UHFFFAOYSA-N
XLogP2.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.19
LogP ≤ 52.67
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 bicyclo[3.2.2]nona-1(7),3-diene?
The IUPAC name of bicyclo[3.2.2]nona-1(7),3-diene (CID 90933303) is bicyclo[3.2.2]nona-1(7),3-diene.
What is the SMILES notation for bicyclo[3.2.2]nona-1(7),3-diene?
The canonical SMILES for bicyclo[3.2.2]nona-1(7),3-diene is C1=CC2CC=C(C1)CC2.
What is the InChIKey of bicyclo[3.2.2]nona-1(7),3-diene?
The InChIKey is OXIKPBKYGSINFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12/c1-2-8-4-6-9(3-1)7-5-8/h1-2,6,8H,3-5,7H2.
What are the key properties of bicyclo[3.2.2]nona-1(7),3-diene?
bicyclo[3.2.2]nona-1(7),3-diene has a molecular weight of 120.19 g/mol, XLogP of 2.67, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[3.2.2]nona-1(7),3-diene is sourced from PubChem (CID 90933303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).