copper bis(hex-1-ene)

C12H22Cu — CID 12525548

IUPACcopper bis(hex-1-ene)
SMILES[Cu+2].[H]/[C-]=C\CCCC.[H]/[C-]=C\CCCC
InChIInChI=1S/2C6H11.Cu/c2*1-3-5-6-4-2;/h2*1,3H,4-6H2,2H3;/q2*-1;+2
InChIKeyGESGZYNPXYVCQV-UHFFFAOYSA-N
MW229.85 g/mol
LogP4.33
Rot. Bonds6

About copper bis(hex-1-ene)

copper bis(hex-1-ene) (PubChem CID 12525548) has the molecular formula C12H22Cu and a molecular weight of 229.85 g/mol. Its IUPAC name is copper bis(hex-1-ene).

Molecular Properties

Compound Namecopper bis(hex-1-ene)
PubChem CID12525548
Molecular FormulaC12H22Cu
Molecular Weight229.85 g/mol
Exact Mass229.10
IUPAC Namecopper bis(hex-1-ene)
SMILES[Cu+2].[H]/[C-]=C\CCCC.[H]/[C-]=C\CCCC
InChIInChI=1S/2C6H11.Cu/c2*1-3-5-6-4-2;/h2*1,3H,4-6H2,2H3;/q2*-1;+2
InChIKeyGESGZYNPXYVCQV-UHFFFAOYSA-N
XLogP4.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.85
LogP ≤ 54.33
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'}

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Related Compounds

lithium hex-1-ene
CID 10964412
magnesium;hex-1-ene;bromide
CID 12590026
sodium;zinc;oct-1-ene;dichloride
CID 158107549
CID 57418783
CID 57418783
dec-5-ene;trihydrobromide
CID 175802238
[3-butyl-2,5-bis(4-ethylphenyl)-4-hexylpyrrol-1-ium-1-ylidene]azanide;bis(henicos-1-ene);nickel(2+)
CID 87818235
pentylidenemagnesium
CID 141304253
hex-1-ene;zinc
CID 174554611
pentadeca-4,10-diene
CID 54306056
CID 102464486
CID 102464486
neodymium;pentanal
CID 87838749
pentanal;stannane
CID 173131916

Frequently Asked Questions

What is the IUPAC name of copper bis(hex-1-ene)?
The IUPAC name of copper bis(hex-1-ene) (CID 12525548) is copper bis(hex-1-ene).
What is the SMILES notation for copper bis(hex-1-ene)?
The canonical SMILES for copper bis(hex-1-ene) is [Cu+2].[H]/[C-]=C\CCCC.[H]/[C-]=C\CCCC.
What is the InChIKey of copper bis(hex-1-ene)?
The InChIKey is GESGZYNPXYVCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H11.Cu/c2*1-3-5-6-4-2;/h2*1,3H,4-6H2,2H3;/q2*-1;+2.
What are the key properties of copper bis(hex-1-ene)?
copper bis(hex-1-ene) has a molecular weight of 229.85 g/mol, XLogP of 4.33, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for copper bis(hex-1-ene) is sourced from PubChem (CID 12525548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).