lithium (Z)-cyclohexylidene(methoxy)methanolate

C8H12LiO2+ — CID 134831327

IUPAClithium (Z)-cyclohexylidene(methoxy)methanolate
SMILESCO/C([O-])=C1/C[CH+]CCC1.[Li+]
InChIInChI=1S/C8H12O2.Li/c1-10-8(9)7-5-3-2-4-6-7;/h3H,2,4-6H2,1H3;/q;+1/b8-7-;
InChIKeyLGPGATXZOCVGPN-CFYXSCKTSA-N
MW147.12 g/mol
LogP-2.01
Rot. Bonds1

About lithium (Z)-cyclohexylidene(methoxy)methanolate

lithium (Z)-cyclohexylidene(methoxy)methanolate (PubChem CID 134831327) has the molecular formula C8H12LiO2+ and a molecular weight of 147.12 g/mol. Its IUPAC name is lithium (Z)-cyclohexylidene(methoxy)methanolate.

Molecular Properties

Compound Namelithium (Z)-cyclohexylidene(methoxy)methanolate
PubChem CID134831327
Molecular FormulaC8H12LiO2+
Molecular Weight147.12 g/mol
Exact Mass147.10
IUPAC Namelithium (Z)-cyclohexylidene(methoxy)methanolate
SMILESCO/C([O-])=C1/C[CH+]CCC1.[Li+]
InChIInChI=1S/C8H12O2.Li/c1-10-8(9)7-5-3-2-4-6-7;/h3H,2,4-6H2,1H3;/q;+1/b8-7-;
InChIKeyLGPGATXZOCVGPN-CFYXSCKTSA-N
XLogP-2.01
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.12
LogP ≤ 5-2.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Diethoxymethylidenecyclohexane
CID 13085507
Lithium cyclohexylidene(methoxy)methanolate
CID 23666053
[Cyclohexylidene(methoxy)methoxy] thiohypoiodite
CID 143500356
[Cyclohexylidene(methoxy)methoxy] thiohypoiodite;ethane
CID 144130466
Dimethoxymethylidenecyclohexane
CID 13085508
Cyclohexylidene(methoxy)methanol
CID 13284212
Lithium cyclohexylidene(ethoxy)methanolate
CID 23666719
Lithium cyclohexylidene(pentan-3-yloxy)methanolate
CID 23678143
CID 53629332
CID 53629332
Lithium cyclohexylidene-[(2-methylpropan-2-yl)oxy]methanolate
CID 101022876
(Z)-cyclohexylidene(methoxy)methanol
CID 137284856
[2-(Dimethoxymethylidene)cyclohexylidene]methanone
CID 144902265

Frequently Asked Questions

What is the IUPAC name of lithium (Z)-cyclohexylidene(methoxy)methanolate?
The IUPAC name of lithium (Z)-cyclohexylidene(methoxy)methanolate (CID 134831327) is lithium (Z)-cyclohexylidene(methoxy)methanolate.
What is the SMILES notation for lithium (Z)-cyclohexylidene(methoxy)methanolate?
The canonical SMILES for lithium (Z)-cyclohexylidene(methoxy)methanolate is CO/C([O-])=C1/C[CH+]CCC1.[Li+].
What is the InChIKey of lithium (Z)-cyclohexylidene(methoxy)methanolate?
The InChIKey is LGPGATXZOCVGPN-CFYXSCKTSA-N. The full InChI is InChI=1S/C8H12O2.Li/c1-10-8(9)7-5-3-2-4-6-7;/h3H,2,4-6H2,1H3;/q;+1/b8-7-;.
What are the key properties of lithium (Z)-cyclohexylidene(methoxy)methanolate?
lithium (Z)-cyclohexylidene(methoxy)methanolate has a molecular weight of 147.12 g/mol, XLogP of -2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (Z)-cyclohexylidene(methoxy)methanolate is sourced from PubChem (CID 134831327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).