6-diazo-2-[(2-methylpropan-2-yl)oxy]cyclohexa-1,3-diene

C10H14N2O — CID 57096993

IUPAC6-diazo-2-[(2-methylpropan-2-yl)oxy]cyclohexa-1,3-diene
SMILESCC(C)(C)OC1=CC(=[N+]=[N-])CC=C1
InChIInChI=1S/C10H14N2O/c1-10(2,3)13-9-6-4-5-8(7-9)12-11/h4,6-7H,5H2,1-3H3
InChIKeyLQJOKVFQMJDSNQ-UHFFFAOYSA-N
MW178.24 g/mol
LogP2.32
Rot. Bonds1

About 6-diazo-2-[(2-methylpropan-2-yl)oxy]cyclohexa-1,3-diene

6-diazo-2-[(2-methylpropan-2-yl)oxy]cyclohexa-1,3-diene (PubChem CID 57096993) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 6-diazo-2-[(2-methylpropan-2-yl)oxy]cyclohexa-1,3-diene.

Molecular Properties

Compound Name6-diazo-2-[(2-methylpropan-2-yl)oxy]cyclohexa-1,3-diene
PubChem CID57096993
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name6-diazo-2-[(2-methylpropan-2-yl)oxy]cyclohexa-1,3-diene
SMILESCC(C)(C)OC1=CC(=[N+]=[N-])CC=C1
InChIInChI=1S/C10H14N2O/c1-10(2,3)13-9-6-4-5-8(7-9)12-11/h4,6-7H,5H2,1-3H3
InChIKeyLQJOKVFQMJDSNQ-UHFFFAOYSA-N
XLogP2.32
TPSA45.63 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

6-Diazo-2,5-diethoxycyclohexa-1,3-diene
CID 20574570
5-Diazo-2-[(2-methylpropan-2-yl)oxy]cyclohexa-1,3-diene
CID 21752680
5-Diazo-2-ethoxycyclohexa-1,3-diene
CID 54072613
5-Diazo-2-methoxycyclohexa-1,3-diene
CID 54511007
6-Diazo-2-ethoxycyclohexa-1,3-diene
CID 57095465
6-Diazo-2-methoxycyclohexa-1,3-diene
CID 57138947
6-Methyl-4-[(2-methylpropan-2-yl)oxy]cyclohexa-2,4-dien-1-imine
CID 141033732
5-Diazo-2-methoxycyclohexa-1,3-diene;hydrochloride
CID 141328970
ZINC;5-diazo-2-methoxycyclohexa-1,3-diene;dichloride
CID 158874390
(Z)-(4-methoxycyclohexa-2,4-dien-1-ylidene)hydrazine
CID 173497929
4-(4-Iminocyclohexa-1,5-dien-1-yl)oxycyclohexa-2,4-dien-1-imine
CID 175461010
5-Diazo-2-prop-2-ynoxycyclohexa-1,3-diene
CID 175058354

Frequently Asked Questions

What is the IUPAC name of 6-diazo-2-[(2-methylpropan-2-yl)oxy]cyclohexa-1,3-diene?
The IUPAC name of 6-diazo-2-[(2-methylpropan-2-yl)oxy]cyclohexa-1,3-diene (CID 57096993) is 6-diazo-2-[(2-methylpropan-2-yl)oxy]cyclohexa-1,3-diene.
What is the SMILES notation for 6-diazo-2-[(2-methylpropan-2-yl)oxy]cyclohexa-1,3-diene?
The canonical SMILES for 6-diazo-2-[(2-methylpropan-2-yl)oxy]cyclohexa-1,3-diene is CC(C)(C)OC1=CC(=[N+]=[N-])CC=C1.
What is the InChIKey of 6-diazo-2-[(2-methylpropan-2-yl)oxy]cyclohexa-1,3-diene?
The InChIKey is LQJOKVFQMJDSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-10(2,3)13-9-6-4-5-8(7-9)12-11/h4,6-7H,5H2,1-3H3.
What are the key properties of 6-diazo-2-[(2-methylpropan-2-yl)oxy]cyclohexa-1,3-diene?
6-diazo-2-[(2-methylpropan-2-yl)oxy]cyclohexa-1,3-diene has a molecular weight of 178.24 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-diazo-2-[(2-methylpropan-2-yl)oxy]cyclohexa-1,3-diene is sourced from PubChem (CID 57096993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).