ethane;[(1Z,4Z)-hexa-1,4-dienyl]diazene

C10H22N2 — CID 145324664

IUPACethane;[(1Z,4Z)-hexa-1,4-dienyl]diazene
SMILESCC.CC.[H]/N=N/C=C\C/C=C\C
InChIInChI=1S/C6H10N2.2C2H6/c1-2-3-4-5-6-8-7;2*1-2/h2-3,5-7H,4H2,1H3;2*1-2H3/b3-2-,6-5-,8-7+;;
InChIKeyKYARVCWQVFKVTP-VAQJIHFZSA-N
MW170.30 g/mol
LogP4.55
Rot. Bonds3

About ethane;[(1Z,4Z)-hexa-1,4-dienyl]diazene

ethane;[(1Z,4Z)-hexa-1,4-dienyl]diazene (PubChem CID 145324664) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is ethane;[(1Z,4Z)-hexa-1,4-dienyl]diazene.

Molecular Properties

Compound Nameethane;[(1Z,4Z)-hexa-1,4-dienyl]diazene
PubChem CID145324664
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Nameethane;[(1Z,4Z)-hexa-1,4-dienyl]diazene
SMILESCC.CC.[H]/N=N/C=C\C/C=C\C
InChIInChI=1S/C6H10N2.2C2H6/c1-2-3-4-5-6-8-7;2*1-2/h2-3,5-7H,4H2,1H3;2*1-2H3/b3-2-,6-5-,8-7+;;
InChIKeyKYARVCWQVFKVTP-VAQJIHFZSA-N
XLogP4.55
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 54.55
H-Bond Donors ≤ 51
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Diazenylbutene
CID 123614367
Diazadecatetraen
CID 129774036
Azo-2,7-octadiene
CID 129811762
[(Z)-but-1-enyl]diazene
CID 123576166
ethane;[(1Z,3Z)-2-methylpenta-1,3-dienyl]diazene
CID 141809428
[(1Z,4Z)-3,3-dimethylhexa-1,4-dienyl]diazene
CID 144544290
ethane;ethyl-[(1Z)-penta-1,4-dienyl]diazene
CID 144654441
ethane;[(1Z,4Z)-hexa-1,4-dienyl]hydrazine
CID 145324648
[(Z)-pent-3-enyl]diazene
CID 154505697
[(1Z,3Z,5Z)-2-[(Z)-but-2-en-2-yl]-4-methylhepta-1,3,5-trienyl]diazene
CID 156352507
[(E)-but-1-enyl]diazene
CID 173497788
(E)-1-(aminodiazenyl)but-1-ene
CID 173654164

Frequently Asked Questions

What is the IUPAC name of ethane;[(1Z,4Z)-hexa-1,4-dienyl]diazene?
The IUPAC name of ethane;[(1Z,4Z)-hexa-1,4-dienyl]diazene (CID 145324664) is ethane;[(1Z,4Z)-hexa-1,4-dienyl]diazene.
What is the SMILES notation for ethane;[(1Z,4Z)-hexa-1,4-dienyl]diazene?
The canonical SMILES for ethane;[(1Z,4Z)-hexa-1,4-dienyl]diazene is CC.CC.[H]/N=N/C=C\C/C=C\C.
What is the InChIKey of ethane;[(1Z,4Z)-hexa-1,4-dienyl]diazene?
The InChIKey is KYARVCWQVFKVTP-VAQJIHFZSA-N. The full InChI is InChI=1S/C6H10N2.2C2H6/c1-2-3-4-5-6-8-7;2*1-2/h2-3,5-7H,4H2,1H3;2*1-2H3/b3-2-,6-5-,8-7+;;.
What are the key properties of ethane;[(1Z,4Z)-hexa-1,4-dienyl]diazene?
ethane;[(1Z,4Z)-hexa-1,4-dienyl]diazene has a molecular weight of 170.30 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[(1Z,4Z)-hexa-1,4-dienyl]diazene is sourced from PubChem (CID 145324664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).