methyl-[(2Z)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)penta-2,4-dien-2-yl]diazene

C12H21BN2O2 — CID 144995014

IUPACmethyl-[(2Z)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)penta-2,4-dien-2-yl]diazene
SMILESC=C(/C=C(C)\N=N\C)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C12H21BN2O2/c1-9(8-10(2)15-14-7)13-16-11(3,4)12(5,6)17-13/h8H,1H2,2-7H3/b10-8-,15-14+
InChIKeyMVJAPGFLWOYBPB-UCLPZZFCSA-N
MW236.12 g/mol
LogP3.16
Rot. Bonds3

About methyl-[(2Z)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)penta-2,4-dien-2-yl]diazene

methyl-[(2Z)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)penta-2,4-dien-2-yl]diazene (PubChem CID 144995014) has the molecular formula C12H21BN2O2 and a molecular weight of 236.12 g/mol. Its IUPAC name is methyl-[(2Z)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)penta-2,4-dien-2-yl]diazene.

Molecular Properties

Compound Namemethyl-[(2Z)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)penta-2,4-dien-2-yl]diazene
PubChem CID144995014
Molecular FormulaC12H21BN2O2
Molecular Weight236.12 g/mol
Exact Mass236.17
IUPAC Namemethyl-[(2Z)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)penta-2,4-dien-2-yl]diazene
SMILESC=C(/C=C(C)\N=N\C)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C12H21BN2O2/c1-9(8-10(2)15-14-7)13-16-11(3,4)12(5,6)17-13/h8H,1H2,2-7H3/b10-8-,15-14+
InChIKeyMVJAPGFLWOYBPB-UCLPZZFCSA-N
XLogP3.16
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.12
LogP ≤ 53.16
H-Bond Donors ≤ 50
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': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

4,4,5,5-tetramethyl-2-penta-1,3-dien-2-yl-1,3,2-dioxaborolane
CID 123806894
ethane;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane
CID 144582849
(4Z)-2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hepta-2,4,6-trien-3-amine
CID 177171141
(Z)-3-methylimino-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-en-1-amine
CID 144908792
N-[(1E,4Z)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexa-1,4-dienyl]methanimine
CID 143898116
(4E)-7-methyl-3-methylidene-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)octa-1,4,6-trien-4-ol
CID 153350614
(Z)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-enoic acid
CID 70944716
2-(5-fluoro-2-methylhexa-3,5-dien-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 123849356
N-methyl-N-(methylideneamino)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenamine
CID 147392556
N-[(1Z,3E)-5,5,5-trifluoro-4-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)penta-1,3-dienyl]methanimine
CID 146981868
3-methylimino-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-en-1-amine
CID 146797377
4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]-1,3,2-dioxaborolane
CID 11748396

Frequently Asked Questions

What is the IUPAC name of methyl-[(2Z)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)penta-2,4-dien-2-yl]diazene?
The IUPAC name of methyl-[(2Z)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)penta-2,4-dien-2-yl]diazene (CID 144995014) is methyl-[(2Z)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)penta-2,4-dien-2-yl]diazene.
What is the SMILES notation for methyl-[(2Z)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)penta-2,4-dien-2-yl]diazene?
The canonical SMILES for methyl-[(2Z)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)penta-2,4-dien-2-yl]diazene is C=C(/C=C(C)\N=N\C)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of methyl-[(2Z)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)penta-2,4-dien-2-yl]diazene?
The InChIKey is MVJAPGFLWOYBPB-UCLPZZFCSA-N. The full InChI is InChI=1S/C12H21BN2O2/c1-9(8-10(2)15-14-7)13-16-11(3,4)12(5,6)17-13/h8H,1H2,2-7H3/b10-8-,15-14+.
What are the key properties of methyl-[(2Z)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)penta-2,4-dien-2-yl]diazene?
methyl-[(2Z)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)penta-2,4-dien-2-yl]diazene has a molecular weight of 236.12 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[(2Z)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)penta-2,4-dien-2-yl]diazene is sourced from PubChem (CID 144995014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).