(1-hydroperoxycyclohexyl)-methyldiazene

C7H14N2O2 — CID 71366709

IUPAC(1-hydroperoxycyclohexyl)-methyldiazene
SMILESC/N=N/C1(OO)CCCCC1
InChIInChI=1S/C7H14N2O2/c1-8-9-7(11-10)5-3-2-4-6-7/h10H,2-6H2,1H3/b9-8+
InChIKeyRTGGKULMSUXDRE-CMDGGOBGSA-N
MW158.20 g/mol
LogP2.22
Rot. Bonds2

About (1-hydroperoxycyclohexyl)-methyldiazene

(1-hydroperoxycyclohexyl)-methyldiazene (PubChem CID 71366709) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is (1-hydroperoxycyclohexyl)-methyldiazene.

Molecular Properties

Compound Name(1-hydroperoxycyclohexyl)-methyldiazene
PubChem CID71366709
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name(1-hydroperoxycyclohexyl)-methyldiazene
SMILESC/N=N/C1(OO)CCCCC1
InChIInChI=1S/C7H14N2O2/c1-8-9-7(11-10)5-3-2-4-6-7/h10H,2-6H2,1H3/b9-8+
InChIKeyRTGGKULMSUXDRE-CMDGGOBGSA-N
XLogP2.22
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

(1-methoxycyclohexyl)-propan-2-yldiazene
CID 21387145
1-hydroperoxy-1-methylperoxycyclododecane
CID 11118348
1-hydroperoxy-1-(1-hydroperoxycyclopentyl)peroxycyclopentane
CID 12551189
(1-methoxycyclooctyl)methanol
CID 165494656
carbonic acid;bis(1-hydroperoxycyclohexane-1-carbonitrile)
CID 173416775
1-butyl-1-hydroperoxycyclohexane
CID 18362273
CID 138560563
CID 138560563
cyclopentyl-(1-methoxycyclopentyl)diazene
CID 21387103
1-hydroperoxy-1-(2-methoxyethoxy)cyclohexane
CID 10726344
1-hydroperoxy-1-(3-methylbut-1-ynyl)cyclohexane
CID 23263634
1-(2,2-dihydroperoxy-1-methylcyclohexyl)peroxy-2,2-dihydroperoxy-1-methylcyclohexane
CID 57354778
1-fluoro-1-methylcycloheptane
CID 57055784

Frequently Asked Questions

What is the IUPAC name of (1-hydroperoxycyclohexyl)-methyldiazene?
The IUPAC name of (1-hydroperoxycyclohexyl)-methyldiazene (CID 71366709) is (1-hydroperoxycyclohexyl)-methyldiazene.
What is the SMILES notation for (1-hydroperoxycyclohexyl)-methyldiazene?
The canonical SMILES for (1-hydroperoxycyclohexyl)-methyldiazene is C/N=N/C1(OO)CCCCC1.
What is the InChIKey of (1-hydroperoxycyclohexyl)-methyldiazene?
The InChIKey is RTGGKULMSUXDRE-CMDGGOBGSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-8-9-7(11-10)5-3-2-4-6-7/h10H,2-6H2,1H3/b9-8+.
What are the key properties of (1-hydroperoxycyclohexyl)-methyldiazene?
(1-hydroperoxycyclohexyl)-methyldiazene has a molecular weight of 158.20 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroperoxycyclohexyl)-methyldiazene is sourced from PubChem (CID 71366709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).