adamantane;hydrogen peroxide

C10H18O2 — CID 159706724

IUPACadamantane;hydrogen peroxide
SMILESC1C2CC3CC1CC(C2)C3.OO
InChIInChI=1S/C10H16.H2O2/c1-7-2-9-4-8(1)5-10(3-7)6-9;1-2/h7-10H,1-6H2;1-2H
InChIKeyMYHPJAICVFKMKP-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.85
Rot. Bonds

About adamantane;hydrogen peroxide

adamantane;hydrogen peroxide (PubChem CID 159706724) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is adamantane;hydrogen peroxide.

Molecular Properties

Compound Nameadamantane;hydrogen peroxide
PubChem CID159706724
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Nameadamantane;hydrogen peroxide
SMILESC1C2CC3CC1CC(C2)C3.OO
InChIInChI=1S/C10H16.H2O2/c1-7-2-9-4-8(1)5-10(3-7)6-9;1-2/h7-10H,1-6H2;1-2H
InChIKeyMYHPJAICVFKMKP-UHFFFAOYSA-N
XLogP2.85
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.85
H-Bond Donors ≤ 52
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 adamantane;hydrogen peroxide?
The IUPAC name of adamantane;hydrogen peroxide (CID 159706724) is adamantane;hydrogen peroxide.
What is the SMILES notation for adamantane;hydrogen peroxide?
The canonical SMILES for adamantane;hydrogen peroxide is C1C2CC3CC1CC(C2)C3.OO.
What is the InChIKey of adamantane;hydrogen peroxide?
The InChIKey is MYHPJAICVFKMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16.H2O2/c1-7-2-9-4-8(1)5-10(3-7)6-9;1-2/h7-10H,1-6H2;1-2H.
What are the key properties of adamantane;hydrogen peroxide?
adamantane;hydrogen peroxide has a molecular weight of 170.25 g/mol, XLogP of 2.85, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for adamantane;hydrogen peroxide is sourced from PubChem (CID 159706724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).