copper(1+);2-methylhept-2-ene

C8H15Cu — CID 154722359

IUPACcopper(1+);2-methylhept-2-ene
SMILESC[CH-]CCC=C(C)C.[Cu+]
InChIInChI=1S/C8H15.Cu/c1-4-5-6-7-8(2)3;/h4,7H,5-6H2,1-3H3;/q-1;+1
InChIKeyCMZSUDIPSQVFCY-UHFFFAOYSA-N
MW174.75 g/mol
LogP2.95
Rot. Bonds3

About copper(1+);2-methylhept-2-ene

copper(1+);2-methylhept-2-ene (PubChem CID 154722359) has the molecular formula C8H15Cu and a molecular weight of 174.75 g/mol. Its IUPAC name is copper(1+);2-methylhept-2-ene.

Molecular Properties

Compound Namecopper(1+);2-methylhept-2-ene
PubChem CID154722359
Molecular FormulaC8H15Cu
Molecular Weight174.75 g/mol
Exact Mass174.05
IUPAC Namecopper(1+);2-methylhept-2-ene
SMILESC[CH-]CCC=C(C)C.[Cu+]
InChIInChI=1S/C8H15.Cu/c1-4-5-6-7-8(2)3;/h4,7H,5-6H2,1-3H3;/q-1;+1
InChIKeyCMZSUDIPSQVFCY-UHFFFAOYSA-N
XLogP2.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.75
LogP ≤ 52.95
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-methylhex-4-ene-1-thiol
CID 123779789
(6R)-6-deuterio-2-methylhept-2-ene
CID 175923111
(6E,10E,15E)-2,6,10,16,20-pentamethylhenicosa-2,6,10,15,19-pentaene
CID 58662859
2-methylhenicos-2-ene;dihydrobromide
CID 175068359
6-methoxy-2-methylhex-2-ene
CID 59087760
N,5-dimethylhex-4-en-1-amine;ethane
CID 145111229
(4Z)-9-methyldeca-4,8-dien-1-ol
CID 11116454
9-methyldeca-4,8-dien-1-ol
CID 71361046
(6E)-2,6-dimethylocta-2,6-diene
CID 5365898
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318
(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415

Frequently Asked Questions

What is the IUPAC name of copper(1+);2-methylhept-2-ene?
The IUPAC name of copper(1+);2-methylhept-2-ene (CID 154722359) is copper(1+);2-methylhept-2-ene.
What is the SMILES notation for copper(1+);2-methylhept-2-ene?
The canonical SMILES for copper(1+);2-methylhept-2-ene is C[CH-]CCC=C(C)C.[Cu+].
What is the InChIKey of copper(1+);2-methylhept-2-ene?
The InChIKey is CMZSUDIPSQVFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15.Cu/c1-4-5-6-7-8(2)3;/h4,7H,5-6H2,1-3H3;/q-1;+1.
What are the key properties of copper(1+);2-methylhept-2-ene?
copper(1+);2-methylhept-2-ene has a molecular weight of 174.75 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for copper(1+);2-methylhept-2-ene is sourced from PubChem (CID 154722359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).