lithium cyclohexylidene(methoxy)methanolate

C8H13LiO2 — CID 23666053

IUPAClithium cyclohexylidene(methoxy)methanolate
SMILESCOC([O-])=C1CCCCC1.[Li+]
InChIInChI=1S/C8H14O2.Li/c1-10-8(9)7-5-3-2-4-6-7;/h9H,2-6H2,1H3;/q;+1/p-1
InChIKeyIUXZWUVUODGXQZ-UHFFFAOYSA-M
MW148.13 g/mol
LogP-1.83
Rot. Bonds1

About lithium cyclohexylidene(methoxy)methanolate

lithium cyclohexylidene(methoxy)methanolate (PubChem CID 23666053) has the molecular formula C8H13LiO2 and a molecular weight of 148.13 g/mol. Its IUPAC name is lithium cyclohexylidene(methoxy)methanolate.

Molecular Properties

Compound Namelithium cyclohexylidene(methoxy)methanolate
PubChem CID23666053
Molecular FormulaC8H13LiO2
Molecular Weight148.13 g/mol
Exact Mass148.11
IUPAC Namelithium cyclohexylidene(methoxy)methanolate
SMILESCOC([O-])=C1CCCCC1.[Li+]
InChIInChI=1S/C8H14O2.Li/c1-10-8(9)7-5-3-2-4-6-7;/h9H,2-6H2,1H3;/q;+1/p-1
InChIKeyIUXZWUVUODGXQZ-UHFFFAOYSA-M
XLogP-1.83
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.13
LogP ≤ 5-1.83
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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Frequently Asked Questions

What is the IUPAC name of lithium cyclohexylidene(methoxy)methanolate?
The IUPAC name of lithium cyclohexylidene(methoxy)methanolate (CID 23666053) is lithium cyclohexylidene(methoxy)methanolate.
What is the SMILES notation for lithium cyclohexylidene(methoxy)methanolate?
The canonical SMILES for lithium cyclohexylidene(methoxy)methanolate is COC([O-])=C1CCCCC1.[Li+].
What is the InChIKey of lithium cyclohexylidene(methoxy)methanolate?
The InChIKey is IUXZWUVUODGXQZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H14O2.Li/c1-10-8(9)7-5-3-2-4-6-7;/h9H,2-6H2,1H3;/q;+1/p-1.
What are the key properties of lithium cyclohexylidene(methoxy)methanolate?
lithium cyclohexylidene(methoxy)methanolate has a molecular weight of 148.13 g/mol, XLogP of -1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium cyclohexylidene(methoxy)methanolate is sourced from PubChem (CID 23666053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).