lithium 3-ethylcyclohexen-1-olate

C8H13LiO — CID 134851878

IUPAClithium 3-ethylcyclohexen-1-olate
SMILESCCC1C=C([O-])CCC1.[Li+]
InChIInChI=1S/C8H14O.Li/c1-2-7-4-3-5-8(9)6-7;/h6-7,9H,2-5H2,1H3;/q;+1/p-1
InChIKeyPGIOIRKSSIEGBV-UHFFFAOYSA-M
MW132.13 g/mol
LogP-1.56
Rot. Bonds1

About lithium 3-ethylcyclohexen-1-olate

lithium 3-ethylcyclohexen-1-olate (PubChem CID 134851878) has the molecular formula C8H13LiO and a molecular weight of 132.13 g/mol. Its IUPAC name is lithium 3-ethylcyclohexen-1-olate.

Molecular Properties

Compound Namelithium 3-ethylcyclohexen-1-olate
PubChem CID134851878
Molecular FormulaC8H13LiO
Molecular Weight132.13 g/mol
Exact Mass132.11
IUPAC Namelithium 3-ethylcyclohexen-1-olate
SMILESCCC1C=C([O-])CCC1.[Li+]
InChIInChI=1S/C8H14O.Li/c1-2-7-4-3-5-8(9)6-7;/h6-7,9H,2-5H2,1H3;/q;+1/p-1
InChIKeyPGIOIRKSSIEGBV-UHFFFAOYSA-M
XLogP-1.56
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.13
LogP ≤ 5-1.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of lithium 3-ethylcyclohexen-1-olate?
The IUPAC name of lithium 3-ethylcyclohexen-1-olate (CID 134851878) is lithium 3-ethylcyclohexen-1-olate.
What is the SMILES notation for lithium 3-ethylcyclohexen-1-olate?
The canonical SMILES for lithium 3-ethylcyclohexen-1-olate is CCC1C=C([O-])CCC1.[Li+].
What is the InChIKey of lithium 3-ethylcyclohexen-1-olate?
The InChIKey is PGIOIRKSSIEGBV-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H14O.Li/c1-2-7-4-3-5-8(9)6-7;/h6-7,9H,2-5H2,1H3;/q;+1/p-1.
What are the key properties of lithium 3-ethylcyclohexen-1-olate?
lithium 3-ethylcyclohexen-1-olate has a molecular weight of 132.13 g/mol, XLogP of -1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 3-ethylcyclohexen-1-olate is sourced from PubChem (CID 134851878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).