oxido-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanylidene)oxidanium

C10H16O2 — CID 141322643

IUPACoxido-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanylidene)oxidanium
SMILESCC1/C(=[O+]/[O-])CC2CC1C2(C)C
InChIInChI=1S/C10H16O2/c1-6-8-4-7(10(8,2)3)5-9(6)12-11/h6-8H,4-5H2,1-3H3
InChIKeyADRUNPYLHQDEQC-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.07
Rot. Bonds

About oxido-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanylidene)oxidanium

oxido-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanylidene)oxidanium (PubChem CID 141322643) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is oxido-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanylidene)oxidanium.

Molecular Properties

Compound Nameoxido-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanylidene)oxidanium
PubChem CID141322643
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Nameoxido-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanylidene)oxidanium
SMILESCC1/C(=[O+]/[O-])CC2CC1C2(C)C
InChIInChI=1S/C10H16O2/c1-6-8-4-7(10(8,2)3)5-9(6)12-11/h6-8H,4-5H2,1-3H3
InChIKeyADRUNPYLHQDEQC-UHFFFAOYSA-N
XLogP1.07
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of oxido-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanylidene)oxidanium?
The IUPAC name of oxido-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanylidene)oxidanium (CID 141322643) is oxido-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanylidene)oxidanium.
What is the SMILES notation for oxido-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanylidene)oxidanium?
The canonical SMILES for oxido-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanylidene)oxidanium is CC1/C(=[O+]/[O-])CC2CC1C2(C)C.
What is the InChIKey of oxido-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanylidene)oxidanium?
The InChIKey is ADRUNPYLHQDEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-6-8-4-7(10(8,2)3)5-9(6)12-11/h6-8H,4-5H2,1-3H3.
What are the key properties of oxido-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanylidene)oxidanium?
oxido-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanylidene)oxidanium has a molecular weight of 168.24 g/mol, XLogP of 1.07, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for oxido-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanylidene)oxidanium is sourced from PubChem (CID 141322643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).