methyl-[(Z)-5-methyl-2-prop-1-en-2-ylhex-2-enyl]diazene

C11H20N2 — CID 167036941

IUPACmethyl-[(Z)-5-methyl-2-prop-1-en-2-ylhex-2-enyl]diazene
SMILESC=C(C)/C(=C/CC(C)C)C/N=N/C
InChIInChI=1S/C11H20N2/c1-9(2)6-7-11(10(3)4)8-13-12-5/h7,9H,3,6,8H2,1-2,4-5H3/b11-7+,13-12+
InChIKeyAQVQCTHIEWBVLC-FREZGGHOSA-N
MW180.29 g/mol
LogP3.62
Rot. Bonds5

About methyl-[(Z)-5-methyl-2-prop-1-en-2-ylhex-2-enyl]diazene

methyl-[(Z)-5-methyl-2-prop-1-en-2-ylhex-2-enyl]diazene (PubChem CID 167036941) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is methyl-[(Z)-5-methyl-2-prop-1-en-2-ylhex-2-enyl]diazene.

Molecular Properties

Compound Namemethyl-[(Z)-5-methyl-2-prop-1-en-2-ylhex-2-enyl]diazene
PubChem CID167036941
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Namemethyl-[(Z)-5-methyl-2-prop-1-en-2-ylhex-2-enyl]diazene
SMILESC=C(C)/C(=C/CC(C)C)C/N=N/C
InChIInChI=1S/C11H20N2/c1-9(2)6-7-11(10(3)4)8-13-12-5/h7,9H,3,6,8H2,1-2,4-5H3/b11-7+,13-12+
InChIKeyAQVQCTHIEWBVLC-FREZGGHOSA-N
XLogP3.62
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.62
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-[(Z)-5-methyl-2-prop-1-en-2-ylhex-2-enyl]diazene?
The IUPAC name of methyl-[(Z)-5-methyl-2-prop-1-en-2-ylhex-2-enyl]diazene (CID 167036941) is methyl-[(Z)-5-methyl-2-prop-1-en-2-ylhex-2-enyl]diazene.
What is the SMILES notation for methyl-[(Z)-5-methyl-2-prop-1-en-2-ylhex-2-enyl]diazene?
The canonical SMILES for methyl-[(Z)-5-methyl-2-prop-1-en-2-ylhex-2-enyl]diazene is C=C(C)/C(=C/CC(C)C)C/N=N/C.
What is the InChIKey of methyl-[(Z)-5-methyl-2-prop-1-en-2-ylhex-2-enyl]diazene?
The InChIKey is AQVQCTHIEWBVLC-FREZGGHOSA-N. The full InChI is InChI=1S/C11H20N2/c1-9(2)6-7-11(10(3)4)8-13-12-5/h7,9H,3,6,8H2,1-2,4-5H3/b11-7+,13-12+.
What are the key properties of methyl-[(Z)-5-methyl-2-prop-1-en-2-ylhex-2-enyl]diazene?
methyl-[(Z)-5-methyl-2-prop-1-en-2-ylhex-2-enyl]diazene has a molecular weight of 180.29 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[(Z)-5-methyl-2-prop-1-en-2-ylhex-2-enyl]diazene is sourced from PubChem (CID 167036941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).