6-diazo-2,5-dipropoxycyclohexa-1,3-diene

C12H18N2O2 — CID 173442907

IUPAC6-diazo-2,5-dipropoxycyclohexa-1,3-diene
SMILESCCCOC1=CC(=[N+]=[N-])C(OCCC)C=C1
InChIInChI=1S/C12H18N2O2/c1-3-7-15-10-5-6-12(16-8-4-2)11(9-10)14-13/h5-6,9,12H,3-4,7-8H2,1-2H3
InChIKeyYPDZPFBPULTKHF-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.33
Rot. Bonds6

About 6-diazo-2,5-dipropoxycyclohexa-1,3-diene

6-diazo-2,5-dipropoxycyclohexa-1,3-diene (PubChem CID 173442907) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 6-diazo-2,5-dipropoxycyclohexa-1,3-diene.

Molecular Properties

Compound Name6-diazo-2,5-dipropoxycyclohexa-1,3-diene
PubChem CID173442907
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name6-diazo-2,5-dipropoxycyclohexa-1,3-diene
SMILESCCCOC1=CC(=[N+]=[N-])C(OCCC)C=C1
InChIInChI=1S/C12H18N2O2/c1-3-7-15-10-5-6-12(16-8-4-2)11(9-10)14-13/h5-6,9,12H,3-4,7-8H2,1-2H3
InChIKeyYPDZPFBPULTKHF-UHFFFAOYSA-N
XLogP2.33
TPSA54.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

o-Diazoanisol
CID 129642107
Chinolimin-ather
CID 129650042
2-Chloro-5-diazo-3,6-diethoxycyclohexa-1,3-diene
CID 20504815
6-Diazo-2,5-dimethoxycyclohexa-1,3-diene
CID 20574569
6-Diazo-2,5-diethoxycyclohexa-1,3-diene
CID 20574570
2,5-Dibutoxy-6-diazocyclohexa-1,3-diene
CID 53869917
5-Diazo-2-ethoxycyclohexa-1,3-diene
CID 54072613
5-Diazo-2-methoxycyclohexa-1,3-diene
CID 54511007
5-Butoxy-2-chloro-6-diazocyclohexa-1,3-diene
CID 54553681
6-Diazo-2-ethoxycyclohexa-1,3-diene
CID 57095465
6-Diazo-2-methoxycyclohexa-1,3-diene
CID 57138947
N-[1-(3-ethylidene-4-propan-2-yloxycyclohexa-1,5-dien-1-yl)propylideneamino]butan-2-imine
CID 123462990

Frequently Asked Questions

What is the IUPAC name of 6-diazo-2,5-dipropoxycyclohexa-1,3-diene?
The IUPAC name of 6-diazo-2,5-dipropoxycyclohexa-1,3-diene (CID 173442907) is 6-diazo-2,5-dipropoxycyclohexa-1,3-diene.
What is the SMILES notation for 6-diazo-2,5-dipropoxycyclohexa-1,3-diene?
The canonical SMILES for 6-diazo-2,5-dipropoxycyclohexa-1,3-diene is CCCOC1=CC(=[N+]=[N-])C(OCCC)C=C1.
What is the InChIKey of 6-diazo-2,5-dipropoxycyclohexa-1,3-diene?
The InChIKey is YPDZPFBPULTKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-3-7-15-10-5-6-12(16-8-4-2)11(9-10)14-13/h5-6,9,12H,3-4,7-8H2,1-2H3.
What are the key properties of 6-diazo-2,5-dipropoxycyclohexa-1,3-diene?
6-diazo-2,5-dipropoxycyclohexa-1,3-diene has a molecular weight of 222.29 g/mol, XLogP of 2.33, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-diazo-2,5-dipropoxycyclohexa-1,3-diene is sourced from PubChem (CID 173442907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).