methyl-[(3Z)-2-methylhexa-3,5-dien-3-yl]diazene

C8H14N2 — CID 167311236

IUPACmethyl-[(3Z)-2-methylhexa-3,5-dien-3-yl]diazene
SMILESC=C/C=C(\N=N\C)C(C)C
InChIInChI=1S/C8H14N2/c1-5-6-8(7(2)3)10-9-4/h5-7H,1H2,2-4H3/b8-6-,10-9+
InChIKeyOEFWZXLTWSROGO-JWJWWGMXSA-N
MW138.21 g/mol
LogP2.79
Rot. Bonds3

About methyl-[(3Z)-2-methylhexa-3,5-dien-3-yl]diazene

methyl-[(3Z)-2-methylhexa-3,5-dien-3-yl]diazene (PubChem CID 167311236) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is methyl-[(3Z)-2-methylhexa-3,5-dien-3-yl]diazene.

Molecular Properties

Compound Namemethyl-[(3Z)-2-methylhexa-3,5-dien-3-yl]diazene
PubChem CID167311236
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Namemethyl-[(3Z)-2-methylhexa-3,5-dien-3-yl]diazene
SMILESC=C/C=C(\N=N\C)C(C)C
InChIInChI=1S/C8H14N2/c1-5-6-8(7(2)3)10-9-4/h5-7H,1H2,2-4H3/b8-6-,10-9+
InChIKeyOEFWZXLTWSROGO-JWJWWGMXSA-N
XLogP2.79
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.79
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': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl-[(3Z)-2-methylhexa-3,5-dien-3-yl]diazene?
The IUPAC name of methyl-[(3Z)-2-methylhexa-3,5-dien-3-yl]diazene (CID 167311236) is methyl-[(3Z)-2-methylhexa-3,5-dien-3-yl]diazene.
What is the SMILES notation for methyl-[(3Z)-2-methylhexa-3,5-dien-3-yl]diazene?
The canonical SMILES for methyl-[(3Z)-2-methylhexa-3,5-dien-3-yl]diazene is C=C/C=C(\N=N\C)C(C)C.
What is the InChIKey of methyl-[(3Z)-2-methylhexa-3,5-dien-3-yl]diazene?
The InChIKey is OEFWZXLTWSROGO-JWJWWGMXSA-N. The full InChI is InChI=1S/C8H14N2/c1-5-6-8(7(2)3)10-9-4/h5-7H,1H2,2-4H3/b8-6-,10-9+.
What are the key properties of methyl-[(3Z)-2-methylhexa-3,5-dien-3-yl]diazene?
methyl-[(3Z)-2-methylhexa-3,5-dien-3-yl]diazene has a molecular weight of 138.21 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[(3Z)-2-methylhexa-3,5-dien-3-yl]diazene is sourced from PubChem (CID 167311236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).