1-azido-2-hydroperoxycyclododecane

C12H23N3O2 — CID 176903012

IUPAC1-azido-2-hydroperoxycyclododecane
SMILES[N-]=[N+]=NC1CCCCCCCCCCC1OO
InChIInChI=1S/C12H23N3O2/c13-15-14-11-9-7-5-3-1-2-4-6-8-10-12(11)17-16/h11-12,16H,1-10H2
InChIKeyKGAKBGARTVQVAC-UHFFFAOYSA-N
MW241.33 g/mol
LogP4.44
Rot. Bonds2

About 1-azido-2-hydroperoxycyclododecane

1-azido-2-hydroperoxycyclododecane (PubChem CID 176903012) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-azido-2-hydroperoxycyclododecane.

Molecular Properties

Compound Name1-azido-2-hydroperoxycyclododecane
PubChem CID176903012
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name1-azido-2-hydroperoxycyclododecane
SMILES[N-]=[N+]=NC1CCCCCCCCCCC1OO
InChIInChI=1S/C12H23N3O2/c13-15-14-11-9-7-5-3-1-2-4-6-8-10-12(11)17-16/h11-12,16H,1-10H2
InChIKeyKGAKBGARTVQVAC-UHFFFAOYSA-N
XLogP4.44
TPSA78.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', '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

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CID 91623762
cis-(1R,2S)-2-azidocyclohexan-1-ol;molecular fluorine
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4-[(1R,2R)-2-azidocyclohexyl]oxysulfonyl-N-hydroxybenzeneamine oxide
CID 58607060
azidocycloheptane
CID 14917746
(1R,2S,3R)-3-azidocyclohexane-1,2-diol
CID 13427856
(1R,2R,3S)-3-azidocyclohexane-1,2-diol
CID 13427857
(1R,2S,3S)-3-azidocyclohexane-1,2-diol
CID 13427858
2-[(1S,2S)-2-azidocycloheptyl]prop-2-enal
CID 59465411
2,5-diazidocyclopentan-1-ol
CID 85255446
trans-(1S,2S)-2-azidocyclopentane-1-carboxylic acid
CID 11469195
[(1R,2S)-2-azidocyclopentyl] 4-nitrobenzenesulfonate
CID 142667563
trans-(1S,2S)-2-azidocyclopentane-1-sulfonic acid
CID 101028855

Frequently Asked Questions

What is the IUPAC name of 1-azido-2-hydroperoxycyclododecane?
The IUPAC name of 1-azido-2-hydroperoxycyclododecane (CID 176903012) is 1-azido-2-hydroperoxycyclododecane.
What is the SMILES notation for 1-azido-2-hydroperoxycyclododecane?
The canonical SMILES for 1-azido-2-hydroperoxycyclododecane is [N-]=[N+]=NC1CCCCCCCCCCC1OO.
What is the InChIKey of 1-azido-2-hydroperoxycyclododecane?
The InChIKey is KGAKBGARTVQVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c13-15-14-11-9-7-5-3-1-2-4-6-8-10-12(11)17-16/h11-12,16H,1-10H2.
What are the key properties of 1-azido-2-hydroperoxycyclododecane?
1-azido-2-hydroperoxycyclododecane has a molecular weight of 241.33 g/mol, XLogP of 4.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-2-hydroperoxycyclododecane is sourced from PubChem (CID 176903012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).