lithium 1,1-dicyclohexyl-2-pyridin-2-ylethanolate

C19H28LiNO — CID 134843195

IUPAClithium 1,1-dicyclohexyl-2-pyridin-2-ylethanolate
SMILES[Li+].[O-]C(Cc1ccccn1)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C19H28NO.Li/c21-19(16-9-3-1-4-10-16,17-11-5-2-6-12-17)15-18-13-7-8-14-20-18;/h7-8,13-14,16-17H,1-6,9-12,15H2;/q-1;+1
InChIKeyOFJBKOHHBYVMKE-UHFFFAOYSA-N
MW293.38 g/mol
LogP0.89
Rot. Bonds4

About lithium 1,1-dicyclohexyl-2-pyridin-2-ylethanolate

lithium 1,1-dicyclohexyl-2-pyridin-2-ylethanolate (PubChem CID 134843195) has the molecular formula C19H28LiNO and a molecular weight of 293.38 g/mol. Its IUPAC name is lithium 1,1-dicyclohexyl-2-pyridin-2-ylethanolate.

Molecular Properties

Compound Namelithium 1,1-dicyclohexyl-2-pyridin-2-ylethanolate
PubChem CID134843195
Molecular FormulaC19H28LiNO
Molecular Weight293.38 g/mol
Exact Mass293.23
IUPAC Namelithium 1,1-dicyclohexyl-2-pyridin-2-ylethanolate
SMILES[Li+].[O-]C(Cc1ccccn1)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C19H28NO.Li/c21-19(16-9-3-1-4-10-16,17-11-5-2-6-12-17)15-18-13-7-8-14-20-18;/h7-8,13-14,16-17H,1-6,9-12,15H2;/q-1;+1
InChIKeyOFJBKOHHBYVMKE-UHFFFAOYSA-N
XLogP0.89
TPSA35.95 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of lithium 1,1-dicyclohexyl-2-pyridin-2-ylethanolate?
The IUPAC name of lithium 1,1-dicyclohexyl-2-pyridin-2-ylethanolate (CID 134843195) is lithium 1,1-dicyclohexyl-2-pyridin-2-ylethanolate.
What is the SMILES notation for lithium 1,1-dicyclohexyl-2-pyridin-2-ylethanolate?
The canonical SMILES for lithium 1,1-dicyclohexyl-2-pyridin-2-ylethanolate is [Li+].[O-]C(Cc1ccccn1)(C1CCCCC1)C1CCCCC1.
What is the InChIKey of lithium 1,1-dicyclohexyl-2-pyridin-2-ylethanolate?
The InChIKey is OFJBKOHHBYVMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28NO.Li/c21-19(16-9-3-1-4-10-16,17-11-5-2-6-12-17)15-18-13-7-8-14-20-18;/h7-8,13-14,16-17H,1-6,9-12,15H2;/q-1;+1.
What are the key properties of lithium 1,1-dicyclohexyl-2-pyridin-2-ylethanolate?
lithium 1,1-dicyclohexyl-2-pyridin-2-ylethanolate has a molecular weight of 293.38 g/mol, XLogP of 0.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1,1-dicyclohexyl-2-pyridin-2-ylethanolate is sourced from PubChem (CID 134843195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).