1-(1-adamantylperoxy)adamantane

C20H30O2 — CID 14509063

IUPAC1-(1-adamantylperoxy)adamantane
SMILESC1C2CC3CC1CC(OOC14CC5CC(CC(C5)C1)C4)(C2)C3
InChIInChI=1S/C20H30O2/c1-13-2-15-3-14(1)8-19(7-13,9-15)21-22-20-10-16-4-17(11-20)6-18(5-16)12-20/h13-18H,1-12H2
InChIKeyCZKFPSCFUWFQGA-UHFFFAOYSA-N
MW302.46 g/mol
LogP4.87
Rot. Bonds3

About 1-(1-adamantylperoxy)adamantane

1-(1-adamantylperoxy)adamantane (PubChem CID 14509063) has the molecular formula C20H30O2 and a molecular weight of 302.46 g/mol. Its IUPAC name is 1-(1-adamantylperoxy)adamantane.

Molecular Properties

Compound Name1-(1-adamantylperoxy)adamantane
PubChem CID14509063
Molecular FormulaC20H30O2
Molecular Weight302.46 g/mol
Exact Mass302.22
IUPAC Name1-(1-adamantylperoxy)adamantane
SMILESC1C2CC3CC1CC(OOC14CC5CC(CC(C5)C1)C4)(C2)C3
InChIInChI=1S/C20H30O2/c1-13-2-15-3-14(1)8-19(7-13,9-15)21-22-20-10-16-4-17(11-20)6-18(5-16)12-20/h13-18H,1-12H2
InChIKeyCZKFPSCFUWFQGA-UHFFFAOYSA-N
XLogP4.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 54.87
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantylperoxy)adamantane?
The IUPAC name of 1-(1-adamantylperoxy)adamantane (CID 14509063) is 1-(1-adamantylperoxy)adamantane.
What is the SMILES notation for 1-(1-adamantylperoxy)adamantane?
The canonical SMILES for 1-(1-adamantylperoxy)adamantane is C1C2CC3CC1CC(OOC14CC5CC(CC(C5)C1)C4)(C2)C3.
What is the InChIKey of 1-(1-adamantylperoxy)adamantane?
The InChIKey is CZKFPSCFUWFQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O2/c1-13-2-15-3-14(1)8-19(7-13,9-15)21-22-20-10-16-4-17(11-20)6-18(5-16)12-20/h13-18H,1-12H2.
What are the key properties of 1-(1-adamantylperoxy)adamantane?
1-(1-adamantylperoxy)adamantane has a molecular weight of 302.46 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantylperoxy)adamantane is sourced from PubChem (CID 14509063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).