lithium;carbanide;cyclohexyl acetate

C9H17LiO2 — CID 158677387

IUPAClithium;carbanide;cyclohexyl acetate
SMILESCC(=O)OC1CCCCC1.[CH3-].[Li+]
InChIInChI=1S/C8H14O2.CH3.Li/c1-7(9)10-8-5-3-2-4-6-8;;/h8H,2-6H2,1H3;1H3;/q;-1;+1
InChIKeySPZYXITZZCBGEQ-UHFFFAOYSA-N
MW164.17 g/mol
LogP-0.66
Rot. Bonds1

About lithium;carbanide;cyclohexyl acetate

lithium;carbanide;cyclohexyl acetate (PubChem CID 158677387) has the molecular formula C9H17LiO2 and a molecular weight of 164.17 g/mol. Its IUPAC name is lithium;carbanide;cyclohexyl acetate.

Molecular Properties

Compound Namelithium;carbanide;cyclohexyl acetate
PubChem CID158677387
Molecular FormulaC9H17LiO2
Molecular Weight164.17 g/mol
Exact Mass164.14
IUPAC Namelithium;carbanide;cyclohexyl acetate
SMILESCC(=O)OC1CCCCC1.[CH3-].[Li+]
InChIInChI=1S/C8H14O2.CH3.Li/c1-7(9)10-8-5-3-2-4-6-8;;/h8H,2-6H2,1H3;1H3;/q;-1;+1
InChIKeySPZYXITZZCBGEQ-UHFFFAOYSA-N
XLogP-0.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 5-0.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium;carbanide;cyclohexyl acetate?
The IUPAC name of lithium;carbanide;cyclohexyl acetate (CID 158677387) is lithium;carbanide;cyclohexyl acetate.
What is the SMILES notation for lithium;carbanide;cyclohexyl acetate?
The canonical SMILES for lithium;carbanide;cyclohexyl acetate is CC(=O)OC1CCCCC1.[CH3-].[Li+].
What is the InChIKey of lithium;carbanide;cyclohexyl acetate?
The InChIKey is SPZYXITZZCBGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2.CH3.Li/c1-7(9)10-8-5-3-2-4-6-8;;/h8H,2-6H2,1H3;1H3;/q;-1;+1.
What are the key properties of lithium;carbanide;cyclohexyl acetate?
lithium;carbanide;cyclohexyl acetate has a molecular weight of 164.17 g/mol, XLogP of -0.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;carbanide;cyclohexyl acetate is sourced from PubChem (CID 158677387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).