lithium cyclohexylmethanolate

C7H13LiO — CID 175116860

IUPAClithium cyclohexylmethanolate
SMILES[Li+].[O-]CC1CCCCC1
InChIInChI=1S/C7H13O.Li/c8-6-7-4-2-1-3-5-7;/h7H,1-6H2;/q-1;+1
InChIKeyPQTLBPYBVLLWPM-UHFFFAOYSA-N
MW120.12 g/mol
LogP-2.07
Rot. Bonds1

About lithium cyclohexylmethanolate

lithium cyclohexylmethanolate (PubChem CID 175116860) has the molecular formula C7H13LiO and a molecular weight of 120.12 g/mol. Its IUPAC name is lithium cyclohexylmethanolate.

Molecular Properties

Compound Namelithium cyclohexylmethanolate
PubChem CID175116860
Molecular FormulaC7H13LiO
Molecular Weight120.12 g/mol
Exact Mass120.11
IUPAC Namelithium cyclohexylmethanolate
SMILES[Li+].[O-]CC1CCCCC1
InChIInChI=1S/C7H13O.Li/c8-6-7-4-2-1-3-5-7;/h7H,1-6H2;/q-1;+1
InChIKeyPQTLBPYBVLLWPM-UHFFFAOYSA-N
XLogP-2.07
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.12
LogP ≤ 5-2.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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cyclobutane;cycloheptane;cyclooctane;cyclopentane;ethylcyclohexane
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CID 57418033
CID 57418033
3-cyclohexadecylpropylcyclohexadecane
CID 57270632
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CID 162297269
cyclononylmethylphosphane
CID 146293630

Frequently Asked Questions

What is the IUPAC name of lithium cyclohexylmethanolate?
The IUPAC name of lithium cyclohexylmethanolate (CID 175116860) is lithium cyclohexylmethanolate.
What is the SMILES notation for lithium cyclohexylmethanolate?
The canonical SMILES for lithium cyclohexylmethanolate is [Li+].[O-]CC1CCCCC1.
What is the InChIKey of lithium cyclohexylmethanolate?
The InChIKey is PQTLBPYBVLLWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13O.Li/c8-6-7-4-2-1-3-5-7;/h7H,1-6H2;/q-1;+1.
What are the key properties of lithium cyclohexylmethanolate?
lithium cyclohexylmethanolate has a molecular weight of 120.12 g/mol, XLogP of -2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium cyclohexylmethanolate is sourced from PubChem (CID 175116860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).