copper(1+);nona-1,3-diene

C9H15Cu — CID 135068543

IUPACcopper(1+);nona-1,3-diene
SMILESC=C/[C-]=C/CCCCC.[Cu+]
InChIInChI=1S/C9H15.Cu/c1-3-5-7-9-8-6-4-2;/h3,7H,1,4,6,8-9H2,2H3;/q-1;+1
InChIKeyMULQHBKFERGBFU-UHFFFAOYSA-N
MW186.77 g/mol
LogP3.11
Rot. Bonds5

About copper(1+);nona-1,3-diene

copper(1+);nona-1,3-diene (PubChem CID 135068543) has the molecular formula C9H15Cu and a molecular weight of 186.77 g/mol. Its IUPAC name is copper(1+);nona-1,3-diene.

Molecular Properties

Compound Namecopper(1+);nona-1,3-diene
PubChem CID135068543
Molecular FormulaC9H15Cu
Molecular Weight186.77 g/mol
Exact Mass186.05
IUPAC Namecopper(1+);nona-1,3-diene
SMILESC=C/[C-]=C/CCCCC.[Cu+]
InChIInChI=1S/C9H15.Cu/c1-3-5-7-9-8-6-4-2;/h3,7H,1,4,6,8-9H2,2H3;/q-1;+1
InChIKeyMULQHBKFERGBFU-UHFFFAOYSA-N
XLogP3.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.77
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

copper(1+);trimethyl(oct-1-enyl)silane
CID 10014833
ethenol;hexane
CID 22706833
non-1-ene
CID 141296734
hexane;octadec-1-ene
CID 175577514
octadec-1-ene;tetradec-1-ene
CID 158470925
octadeca-1,17-diene;tetradec-1-ene
CID 173070986
dec-1-ene;dodec-1-ene;tetradec-1-ene
CID 159177706
octadecane;octadec-1-ene
CID 162018238
hept-1-ene;polane
CID 173465915
(18Z)-heptacosa-1,18-diene
CID 14841085
pentacosa-1,9,15-triene
CID 90876289
tetradeca-1,8-diene
CID 90913546

Frequently Asked Questions

What is the IUPAC name of copper(1+);nona-1,3-diene?
The IUPAC name of copper(1+);nona-1,3-diene (CID 135068543) is copper(1+);nona-1,3-diene.
What is the SMILES notation for copper(1+);nona-1,3-diene?
The canonical SMILES for copper(1+);nona-1,3-diene is C=C/[C-]=C/CCCCC.[Cu+].
What is the InChIKey of copper(1+);nona-1,3-diene?
The InChIKey is MULQHBKFERGBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15.Cu/c1-3-5-7-9-8-6-4-2;/h3,7H,1,4,6,8-9H2,2H3;/q-1;+1.
What are the key properties of copper(1+);nona-1,3-diene?
copper(1+);nona-1,3-diene has a molecular weight of 186.77 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for copper(1+);nona-1,3-diene is sourced from PubChem (CID 135068543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).