lithium;butane;3-butylcyclopenten-1-ol;copper

C13H25CuLiO — CID 134890508

IUPAClithium;butane;3-butylcyclopenten-1-ol;copper
SMILESCCCCC1C=C(O)CC1.[CH2-]CCC.[Cu].[Li+]
InChIInChI=1S/C9H16O.C4H9.Cu.Li/c1-2-3-4-8-5-6-9(10)7-8;1-3-4-2;;/h7-8,10H,2-6H2,1H3;1,3-4H2,2H3;;/q;-1;;+1
InChIKeySVQBYXQFJGMIOD-UHFFFAOYSA-N
MW267.83 g/mol
LogP1.65
Rot. Bonds4

About lithium;butane;3-butylcyclopenten-1-ol;copper

lithium;butane;3-butylcyclopenten-1-ol;copper (PubChem CID 134890508) has the molecular formula C13H25CuLiO and a molecular weight of 267.83 g/mol. Its IUPAC name is lithium;butane;3-butylcyclopenten-1-ol;copper.

Molecular Properties

Compound Namelithium;butane;3-butylcyclopenten-1-ol;copper
PubChem CID134890508
Molecular FormulaC13H25CuLiO
Molecular Weight267.83 g/mol
Exact Mass267.14
IUPAC Namelithium;butane;3-butylcyclopenten-1-ol;copper
SMILESCCCCC1C=C(O)CC1.[CH2-]CCC.[Cu].[Li+]
InChIInChI=1S/C9H16O.C4H9.Cu.Li/c1-2-3-4-8-5-6-9(10)7-8;1-3-4-2;;/h7-8,10H,2-6H2,1H3;1,3-4H2,2H3;;/q;-1;;+1
InChIKeySVQBYXQFJGMIOD-UHFFFAOYSA-N
XLogP1.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.83
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium;butane;3-butylcyclopenten-1-ol;copper?
The IUPAC name of lithium;butane;3-butylcyclopenten-1-ol;copper (CID 134890508) is lithium;butane;3-butylcyclopenten-1-ol;copper.
What is the SMILES notation for lithium;butane;3-butylcyclopenten-1-ol;copper?
The canonical SMILES for lithium;butane;3-butylcyclopenten-1-ol;copper is CCCCC1C=C(O)CC1.[CH2-]CCC.[Cu].[Li+].
What is the InChIKey of lithium;butane;3-butylcyclopenten-1-ol;copper?
The InChIKey is SVQBYXQFJGMIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O.C4H9.Cu.Li/c1-2-3-4-8-5-6-9(10)7-8;1-3-4-2;;/h7-8,10H,2-6H2,1H3;1,3-4H2,2H3;;/q;-1;;+1.
What are the key properties of lithium;butane;3-butylcyclopenten-1-ol;copper?
lithium;butane;3-butylcyclopenten-1-ol;copper has a molecular weight of 267.83 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;butane;3-butylcyclopenten-1-ol;copper is sourced from PubChem (CID 134890508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).