butan-2-yl-[(2Z)-3-methoxypenta-2,4-dien-2-yl]diazene

C10H18N2O — CID 166807640

IUPACbutan-2-yl-[(2Z)-3-methoxypenta-2,4-dien-2-yl]diazene
SMILESC=C/C(OC)=C(C)/N=N/C(C)CC
InChIInChI=1S/C10H18N2O/c1-6-8(3)11-12-9(4)10(7-2)13-5/h7-8H,2,6H2,1,3-5H3/b10-9-,12-11+
InChIKeyZOEHPHQPUFDQSW-XAZJVICWSA-N
MW182.27 g/mol
LogP3.30
Rot. Bonds5

About butan-2-yl-[(2Z)-3-methoxypenta-2,4-dien-2-yl]diazene

butan-2-yl-[(2Z)-3-methoxypenta-2,4-dien-2-yl]diazene (PubChem CID 166807640) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is butan-2-yl-[(2Z)-3-methoxypenta-2,4-dien-2-yl]diazene.

Molecular Properties

Compound Namebutan-2-yl-[(2Z)-3-methoxypenta-2,4-dien-2-yl]diazene
PubChem CID166807640
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Namebutan-2-yl-[(2Z)-3-methoxypenta-2,4-dien-2-yl]diazene
SMILESC=C/C(OC)=C(C)/N=N/C(C)CC
InChIInChI=1S/C10H18N2O/c1-6-8(3)11-12-9(4)10(7-2)13-5/h7-8H,2,6H2,1,3-5H3/b10-9-,12-11+
InChIKeyZOEHPHQPUFDQSW-XAZJVICWSA-N
XLogP3.30
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

3-ethoxy-4-methoxy-5-methylhepta-1,3-diene
CID 141190796
(2Z)-3-methoxy-2-methylpenta-2,4-dienenitrile
CID 146420501
(3Z)-3-methoxy-4-propoxyhexa-1,3,5-triene
CID 143865057
ethane;(3E)-4-ethenyl-3-methoxy-7-methylocta-1,3-diene
CID 145360237
N-[(1E)-1-methoxy-2-methylbuta-1,3-dienyl]methanimine;propane
CID 143608728
N-ethyl-N-[(2Z)-3-methoxypenta-2,4-dien-2-yl]cyclopropanamine
CID 143406800
(Z)-N-[(2R)-butan-2-yl]-2-methylbut-2-en-1-imine
CID 89321973
(4Z)-N-butan-2-ylhexa-1,4-dien-3-imine
CID 144693544
(1Z,3E)-4-methoxy-3-methylhexa-1,3,5-trien-1-amine
CID 89205984
(3Z)-3,5,6-trimethylocta-1,3-diene
CID 165141677
[(3E)-4-methoxyhexa-1,3,5-trien-3-yl]boronic acid
CID 155579248
1,1-dimethoxy-2-methylbuta-1,3-diene
CID 11116083

Frequently Asked Questions

What is the IUPAC name of butan-2-yl-[(2Z)-3-methoxypenta-2,4-dien-2-yl]diazene?
The IUPAC name of butan-2-yl-[(2Z)-3-methoxypenta-2,4-dien-2-yl]diazene (CID 166807640) is butan-2-yl-[(2Z)-3-methoxypenta-2,4-dien-2-yl]diazene.
What is the SMILES notation for butan-2-yl-[(2Z)-3-methoxypenta-2,4-dien-2-yl]diazene?
The canonical SMILES for butan-2-yl-[(2Z)-3-methoxypenta-2,4-dien-2-yl]diazene is C=C/C(OC)=C(C)/N=N/C(C)CC.
What is the InChIKey of butan-2-yl-[(2Z)-3-methoxypenta-2,4-dien-2-yl]diazene?
The InChIKey is ZOEHPHQPUFDQSW-XAZJVICWSA-N. The full InChI is InChI=1S/C10H18N2O/c1-6-8(3)11-12-9(4)10(7-2)13-5/h7-8H,2,6H2,1,3-5H3/b10-9-,12-11+.
What are the key properties of butan-2-yl-[(2Z)-3-methoxypenta-2,4-dien-2-yl]diazene?
butan-2-yl-[(2Z)-3-methoxypenta-2,4-dien-2-yl]diazene has a molecular weight of 182.27 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl-[(2Z)-3-methoxypenta-2,4-dien-2-yl]diazene is sourced from PubChem (CID 166807640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).