lithium 2-cyclohexylethynolate

C8H11LiO — CID 23667969

IUPAClithium 2-cyclohexylethynolate
SMILES[Li+].[O-]C#CC1CCCCC1
InChIInChI=1S/C8H12O.Li/c9-7-6-8-4-2-1-3-5-8;/h8-9H,1-5H2;/q;+1/p-1
InChIKeyDQOIDKGWJVCYKF-UHFFFAOYSA-M
MW130.12 g/mol
LogP-2.11
Rot. Bonds

About lithium 2-cyclohexylethynolate

lithium 2-cyclohexylethynolate (PubChem CID 23667969) has the molecular formula C8H11LiO and a molecular weight of 130.12 g/mol. Its IUPAC name is lithium 2-cyclohexylethynolate.

Molecular Properties

Compound Namelithium 2-cyclohexylethynolate
PubChem CID23667969
Molecular FormulaC8H11LiO
Molecular Weight130.12 g/mol
Exact Mass130.10
IUPAC Namelithium 2-cyclohexylethynolate
SMILES[Li+].[O-]C#CC1CCCCC1
InChIInChI=1S/C8H12O.Li/c9-7-6-8-4-2-1-3-5-8;/h8-9H,1-5H2;/q;+1/p-1
InChIKeyDQOIDKGWJVCYKF-UHFFFAOYSA-M
XLogP-2.11
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.12
LogP ≤ 5-2.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

prop-1-ynylcyclododecane
CID 141054951
but-3-en-1-ynylcyclohexane
CID 10931474
prop-1-ynylcyclopentane
CID 20764675
3,3,3-trifluoroprop-1-ynylcyclohexane
CID 91536674
tricyclohexyl(2-cyclopentylethynyl)boranuide
CID 135048863
cyclooctanecarbonitrile
CID 13075060
cyclohexylmethylidyneborane
CID 159011895
4-cyclohexylbut-3-ynal
CID 22058805
cyclooctanecarbonitrile;methane
CID 173081929
cyclohexanecarbonitrile;hydrochloride
CID 141135021
4-prop-1-ynylcyclododecan-1-ol
CID 141054947
CID 102094064
CID 102094064

Frequently Asked Questions

What is the IUPAC name of lithium 2-cyclohexylethynolate?
The IUPAC name of lithium 2-cyclohexylethynolate (CID 23667969) is lithium 2-cyclohexylethynolate.
What is the SMILES notation for lithium 2-cyclohexylethynolate?
The canonical SMILES for lithium 2-cyclohexylethynolate is [Li+].[O-]C#CC1CCCCC1.
What is the InChIKey of lithium 2-cyclohexylethynolate?
The InChIKey is DQOIDKGWJVCYKF-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H12O.Li/c9-7-6-8-4-2-1-3-5-8;/h8-9H,1-5H2;/q;+1/p-1.
What are the key properties of lithium 2-cyclohexylethynolate?
lithium 2-cyclohexylethynolate has a molecular weight of 130.12 g/mol, XLogP of -2.11, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-cyclohexylethynolate is sourced from PubChem (CID 23667969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).