lithium;cyclohexen-1-olate;triethylborane

C12H24BLiO — CID 134888580

IUPAClithium;cyclohexen-1-olate;triethylborane
SMILESCCB(CC)CC.[Li+].[O-]C1=CCCCC1
InChIInChI=1S/C6H15B.C6H10O.Li/c1-4-7(5-2)6-3;7-6-4-2-1-3-5-6;/h4-6H2,1-3H3;4,7H,1-3,5H2;/q;;+1/p-1
InChIKeyYZBFENHOILTBGH-UHFFFAOYSA-M
MW202.08 g/mol
LogP0.35
Rot. Bonds3

About lithium;cyclohexen-1-olate;triethylborane

lithium;cyclohexen-1-olate;triethylborane (PubChem CID 134888580) has the molecular formula C12H24BLiO and a molecular weight of 202.08 g/mol. Its IUPAC name is lithium;cyclohexen-1-olate;triethylborane.

Molecular Properties

Compound Namelithium;cyclohexen-1-olate;triethylborane
PubChem CID134888580
Molecular FormulaC12H24BLiO
Molecular Weight202.08 g/mol
Exact Mass202.21
IUPAC Namelithium;cyclohexen-1-olate;triethylborane
SMILESCCB(CC)CC.[Li+].[O-]C1=CCCCC1
InChIInChI=1S/C6H15B.C6H10O.Li/c1-4-7(5-2)6-3;7-6-4-2-1-3-5-6;/h4-6H2,1-3H3;4,7H,1-3,5H2;/q;;+1/p-1
InChIKeyYZBFENHOILTBGH-UHFFFAOYSA-M
XLogP0.35
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.08
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 16695893
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CID 23685819
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CID 86169622
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CID 12737525
CID 12737525
CID 21482452
CID 21482452
CID 11776342
CID 11776342
CID 12808825
CID 12808825
CID 16693930
CID 16693930
CID 16695892
CID 16695892
CID 23684731
CID 23684731
CID 101422478
CID 101422478

Frequently Asked Questions

What is the IUPAC name of lithium;cyclohexen-1-olate;triethylborane?
The IUPAC name of lithium;cyclohexen-1-olate;triethylborane (CID 134888580) is lithium;cyclohexen-1-olate;triethylborane.
What is the SMILES notation for lithium;cyclohexen-1-olate;triethylborane?
The canonical SMILES for lithium;cyclohexen-1-olate;triethylborane is CCB(CC)CC.[Li+].[O-]C1=CCCCC1.
What is the InChIKey of lithium;cyclohexen-1-olate;triethylborane?
The InChIKey is YZBFENHOILTBGH-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H15B.C6H10O.Li/c1-4-7(5-2)6-3;7-6-4-2-1-3-5-6;/h4-6H2,1-3H3;4,7H,1-3,5H2;/q;;+1/p-1.
What are the key properties of lithium;cyclohexen-1-olate;triethylborane?
lithium;cyclohexen-1-olate;triethylborane has a molecular weight of 202.08 g/mol, XLogP of 0.35, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;cyclohexen-1-olate;triethylborane is sourced from PubChem (CID 134888580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).