lithium cyclohexylidene(ethoxy)methanolate

C9H15LiO2 — CID 23666719

IUPAClithium cyclohexylidene(ethoxy)methanolate
SMILESCCOC([O-])=C1CCCCC1.[Li+]
InChIInChI=1S/C9H16O2.Li/c1-2-11-9(10)8-6-4-3-5-7-8;/h10H,2-7H2,1H3;/q;+1/p-1
InChIKeyUWAMRKHYSUHOQP-UHFFFAOYSA-M
MW162.16 g/mol
LogP-1.44
Rot. Bonds2

About lithium cyclohexylidene(ethoxy)methanolate

lithium cyclohexylidene(ethoxy)methanolate (PubChem CID 23666719) has the molecular formula C9H15LiO2 and a molecular weight of 162.16 g/mol. Its IUPAC name is lithium cyclohexylidene(ethoxy)methanolate.

Molecular Properties

Compound Namelithium cyclohexylidene(ethoxy)methanolate
PubChem CID23666719
Molecular FormulaC9H15LiO2
Molecular Weight162.16 g/mol
Exact Mass162.12
IUPAC Namelithium cyclohexylidene(ethoxy)methanolate
SMILESCCOC([O-])=C1CCCCC1.[Li+]
InChIInChI=1S/C9H16O2.Li/c1-2-11-9(10)8-6-4-3-5-7-8;/h10H,2-7H2,1H3;/q;+1/p-1
InChIKeyUWAMRKHYSUHOQP-UHFFFAOYSA-M
XLogP-1.44
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.16
LogP ≤ 5-1.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

Diethoxymethylidenecyclohexane
CID 13085507
Lithium cyclohexylidene(methoxy)methanolate
CID 23666053
lithium 5-methyl-3,4-dihydro-2H-pyran-6-olate
CID 23715486
lithium (Z)-cyclohexylidene(methoxy)methanolate
CID 134831327
[Cyclohexylidene(methoxy)methoxy] thiohypoiodite
CID 143500356
Dimethoxymethylidenecyclohexane
CID 13085508
Cyclohexylidene(methoxy)methanol
CID 13284212
Cyclohexylidene(ethoxy)methanol
CID 14223206
Lithium cyclohexylidene(pentan-3-yloxy)methanolate
CID 23678143
Lithium cyclohexylidene(2,4-dimethylpentan-3-yloxy)methanolate
CID 23683108
CID 53629332
CID 53629332
Lithium cyclohexylidene-[(2-methylpropan-2-yl)oxy]methanolate
CID 101022876

Frequently Asked Questions

What is the IUPAC name of lithium cyclohexylidene(ethoxy)methanolate?
The IUPAC name of lithium cyclohexylidene(ethoxy)methanolate (CID 23666719) is lithium cyclohexylidene(ethoxy)methanolate.
What is the SMILES notation for lithium cyclohexylidene(ethoxy)methanolate?
The canonical SMILES for lithium cyclohexylidene(ethoxy)methanolate is CCOC([O-])=C1CCCCC1.[Li+].
What is the InChIKey of lithium cyclohexylidene(ethoxy)methanolate?
The InChIKey is UWAMRKHYSUHOQP-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H16O2.Li/c1-2-11-9(10)8-6-4-3-5-7-8;/h10H,2-7H2,1H3;/q;+1/p-1.
What are the key properties of lithium cyclohexylidene(ethoxy)methanolate?
lithium cyclohexylidene(ethoxy)methanolate has a molecular weight of 162.16 g/mol, XLogP of -1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium cyclohexylidene(ethoxy)methanolate is sourced from PubChem (CID 23666719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).