lithium (5R)-5-tert-butylcyclohexen-1-olate

C10H17LiO — CID 135082027

IUPAClithium (5R)-5-tert-butylcyclohexen-1-olate
SMILESCC(C)(C)[C@@H]1CCC=C([O-])C1.[Li+]
InChIInChI=1S/C10H18O.Li/c1-10(2,3)8-5-4-6-9(11)7-8;/h6,8,11H,4-5,7H2,1-3H3;/q;+1/p-1/t8-;/m1./s1
InChIKeyDNNHJVDOPUFODU-DDWIOCJRSA-M
MW160.19 g/mol
LogP-0.92
Rot. Bonds

About lithium (5R)-5-tert-butylcyclohexen-1-olate

lithium (5R)-5-tert-butylcyclohexen-1-olate (PubChem CID 135082027) has the molecular formula C10H17LiO and a molecular weight of 160.19 g/mol. Its IUPAC name is lithium (5R)-5-tert-butylcyclohexen-1-olate.

Molecular Properties

Compound Namelithium (5R)-5-tert-butylcyclohexen-1-olate
PubChem CID135082027
Molecular FormulaC10H17LiO
Molecular Weight160.19 g/mol
Exact Mass160.14
IUPAC Namelithium (5R)-5-tert-butylcyclohexen-1-olate
SMILESCC(C)(C)[C@@H]1CCC=C([O-])C1.[Li+]
InChIInChI=1S/C10H18O.Li/c1-10(2,3)8-5-4-6-9(11)7-8;/h6,8,11H,4-5,7H2,1-3H3;/q;+1/p-1/t8-;/m1./s1
InChIKeyDNNHJVDOPUFODU-DDWIOCJRSA-M
XLogP-0.92
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.19
LogP ≤ 5-0.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of lithium (5R)-5-tert-butylcyclohexen-1-olate?
The IUPAC name of lithium (5R)-5-tert-butylcyclohexen-1-olate (CID 135082027) is lithium (5R)-5-tert-butylcyclohexen-1-olate.
What is the SMILES notation for lithium (5R)-5-tert-butylcyclohexen-1-olate?
The canonical SMILES for lithium (5R)-5-tert-butylcyclohexen-1-olate is CC(C)(C)[C@@H]1CCC=C([O-])C1.[Li+].
What is the InChIKey of lithium (5R)-5-tert-butylcyclohexen-1-olate?
The InChIKey is DNNHJVDOPUFODU-DDWIOCJRSA-M. The full InChI is InChI=1S/C10H18O.Li/c1-10(2,3)8-5-4-6-9(11)7-8;/h6,8,11H,4-5,7H2,1-3H3;/q;+1/p-1/t8-;/m1./s1.
What are the key properties of lithium (5R)-5-tert-butylcyclohexen-1-olate?
lithium (5R)-5-tert-butylcyclohexen-1-olate has a molecular weight of 160.19 g/mol, XLogP of -0.92, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (5R)-5-tert-butylcyclohexen-1-olate is sourced from PubChem (CID 135082027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).