2-(1-hydroperoxy-2,2-dimethylpropyl)bicyclo[2.2.1]heptane

C12H22O2 — CID 58636264

IUPAC2-(1-hydroperoxy-2,2-dimethylpropyl)bicyclo[2.2.1]heptane
SMILESCC(C)(C)C(OO)C1CC2CCC1C2
InChIInChI=1S/C12H22O2/c1-12(2,3)11(14-13)10-7-8-4-5-9(10)6-8/h8-11,13H,4-7H2,1-3H3
InChIKeyAKGNYLIPLSGTGT-UHFFFAOYSA-N
MW198.31 g/mol
LogP3.33
Rot. Bonds2

About 2-(1-hydroperoxy-2,2-dimethylpropyl)bicyclo[2.2.1]heptane

2-(1-hydroperoxy-2,2-dimethylpropyl)bicyclo[2.2.1]heptane (PubChem CID 58636264) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-(1-hydroperoxy-2,2-dimethylpropyl)bicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-(1-hydroperoxy-2,2-dimethylpropyl)bicyclo[2.2.1]heptane
PubChem CID58636264
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name2-(1-hydroperoxy-2,2-dimethylpropyl)bicyclo[2.2.1]heptane
SMILESCC(C)(C)C(OO)C1CC2CCC1C2
InChIInChI=1S/C12H22O2/c1-12(2,3)11(14-13)10-7-8-4-5-9(10)6-8/h8-11,13H,4-7H2,1-3H3
InChIKeyAKGNYLIPLSGTGT-UHFFFAOYSA-N
XLogP3.33
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethanol
CID 134975675
(1R)-1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethanol
CID 130127391
(2R,4S)-2-propan-2-ylbicyclo[2.2.1]heptane
CID 58921505
3-(2-bicyclo[2.2.1]heptanyl)-3-hydroxy-2,2-dimethylpropanenitrile
CID 130631730
2-(2-deuteriopropan-2-yl)bicyclo[2.2.1]heptane
CID 59907316
amino(2-bicyclo[2.2.1]heptanyl)methanol
CID 166969475
1-(2-bicyclo[2.2.1]heptanyl)-2,2-dimethylbutan-1-amine
CID 130494691
2-(dibromomethyl)bicyclo[2.2.1]heptane
CID 68736675
2-bicyclo[2.2.1]heptanyl-(1-ethylcyclopropyl)methanol
CID 130554280
1-(2-bicyclo[2.2.1]heptanyl)-4-methoxy-4-methylpentan-1-amine
CID 103032021
[(2S)-2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-2-methoxyethyl] acetate
CID 118564593
tert-butyl 3-(2-bicyclo[2.2.1]heptanyl)-3-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]oxypropanoate
CID 18684353

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroperoxy-2,2-dimethylpropyl)bicyclo[2.2.1]heptane?
The IUPAC name of 2-(1-hydroperoxy-2,2-dimethylpropyl)bicyclo[2.2.1]heptane (CID 58636264) is 2-(1-hydroperoxy-2,2-dimethylpropyl)bicyclo[2.2.1]heptane.
What is the SMILES notation for 2-(1-hydroperoxy-2,2-dimethylpropyl)bicyclo[2.2.1]heptane?
The canonical SMILES for 2-(1-hydroperoxy-2,2-dimethylpropyl)bicyclo[2.2.1]heptane is CC(C)(C)C(OO)C1CC2CCC1C2.
What is the InChIKey of 2-(1-hydroperoxy-2,2-dimethylpropyl)bicyclo[2.2.1]heptane?
The InChIKey is AKGNYLIPLSGTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-12(2,3)11(14-13)10-7-8-4-5-9(10)6-8/h8-11,13H,4-7H2,1-3H3.
What are the key properties of 2-(1-hydroperoxy-2,2-dimethylpropyl)bicyclo[2.2.1]heptane?
2-(1-hydroperoxy-2,2-dimethylpropyl)bicyclo[2.2.1]heptane has a molecular weight of 198.31 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroperoxy-2,2-dimethylpropyl)bicyclo[2.2.1]heptane is sourced from PubChem (CID 58636264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).