lithium 3-[(E)-oct-1-enyl]cyclopenten-1-olate

C13H21LiO — CID 135082012

IUPAClithium 3-[(E)-oct-1-enyl]cyclopenten-1-olate
SMILESCCCCCC/C=C/C1C=C([O-])CC1.[Li+]
InChIInChI=1S/C13H22O.Li/c1-2-3-4-5-6-7-8-12-9-10-13(14)11-12;/h7-8,11-12,14H,2-6,9-10H2,1H3;/q;+1/p-1/b8-7+;
InChIKeyGJMVUONOCLKKGE-USRGLUTNSA-M
MW200.25 g/mol
LogP0.17
Rot. Bonds6

About lithium 3-[(E)-oct-1-enyl]cyclopenten-1-olate

lithium 3-[(E)-oct-1-enyl]cyclopenten-1-olate (PubChem CID 135082012) has the molecular formula C13H21LiO and a molecular weight of 200.25 g/mol. Its IUPAC name is lithium 3-[(E)-oct-1-enyl]cyclopenten-1-olate.

Molecular Properties

Compound Namelithium 3-[(E)-oct-1-enyl]cyclopenten-1-olate
PubChem CID135082012
Molecular FormulaC13H21LiO
Molecular Weight200.25 g/mol
Exact Mass200.18
IUPAC Namelithium 3-[(E)-oct-1-enyl]cyclopenten-1-olate
SMILESCCCCCC/C=C/C1C=C([O-])CC1.[Li+]
InChIInChI=1S/C13H22O.Li/c1-2-3-4-5-6-7-8-12-9-10-13(14)11-12;/h7-8,11-12,14H,2-6,9-10H2,1H3;/q;+1/p-1/b8-7+;
InChIKeyGJMVUONOCLKKGE-USRGLUTNSA-M
XLogP0.17
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.25
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(Z)-4-ethylhept-2-en-3-yl] hypofluorite
CID 168879608
Lithium 3-ethenylcyclopenten-1-olate
CID 23716281
Lithium 5-methylcyclopenten-1-olate
CID 23719264
lithium (3R)-3-[(E)-oct-1-enyl]cyclopenten-1-olate
CID 134894558
Lithium 6-ethylcyclohexen-1-olate
CID 134976010
Lithium 3-ethenyl-2-methylcyclopenten-1-olate
CID 135082011
Lithium 3-methylcyclopenten-1-olate
CID 135083435
lithium (E)-5-methyldec-7-en-5-olate
CID 20702568
lithium;methane;(E)-5-methylnon-2-en-5-olate
CID 160273536
CID 102086848
CID 102086848
(3R)-3-[(E)-oct-1-enyl]cyclopenten-1-ol
CID 134894559
3-[(E)-oct-1-enyl]cyclopenten-1-ol
CID 135082013

Frequently Asked Questions

What is the IUPAC name of lithium 3-[(E)-oct-1-enyl]cyclopenten-1-olate?
The IUPAC name of lithium 3-[(E)-oct-1-enyl]cyclopenten-1-olate (CID 135082012) is lithium 3-[(E)-oct-1-enyl]cyclopenten-1-olate.
What is the SMILES notation for lithium 3-[(E)-oct-1-enyl]cyclopenten-1-olate?
The canonical SMILES for lithium 3-[(E)-oct-1-enyl]cyclopenten-1-olate is CCCCCC/C=C/C1C=C([O-])CC1.[Li+].
What is the InChIKey of lithium 3-[(E)-oct-1-enyl]cyclopenten-1-olate?
The InChIKey is GJMVUONOCLKKGE-USRGLUTNSA-M. The full InChI is InChI=1S/C13H22O.Li/c1-2-3-4-5-6-7-8-12-9-10-13(14)11-12;/h7-8,11-12,14H,2-6,9-10H2,1H3;/q;+1/p-1/b8-7+;.
What are the key properties of lithium 3-[(E)-oct-1-enyl]cyclopenten-1-olate?
lithium 3-[(E)-oct-1-enyl]cyclopenten-1-olate has a molecular weight of 200.25 g/mol, XLogP of 0.17, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 3-[(E)-oct-1-enyl]cyclopenten-1-olate is sourced from PubChem (CID 135082012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).