dilithium;1-cyclopropyl-2,2-dimethylpropan-1-olate

C8H14Li2O — CID 134975920

IUPACdilithium;1-cyclopropyl-2,2-dimethylpropan-1-olate
SMILESCC(C)(C)C([O-])[C@@H]1[CH-]C1.[Li+].[Li+]
InChIInChI=1S/C8H14O.2Li/c1-8(2,3)7(9)6-4-5-6;;/h4,6-7H,5H2,1-3H3;;/q-2;2*+1/t6-,7?;;/m1../s1
InChIKeyAPUQORDITFEDBC-DKPBNVODSA-N
MW140.08 g/mol
LogP-5.01
Rot. Bonds1

About dilithium;1-cyclopropyl-2,2-dimethylpropan-1-olate

dilithium;1-cyclopropyl-2,2-dimethylpropan-1-olate (PubChem CID 134975920) has the molecular formula C8H14Li2O and a molecular weight of 140.08 g/mol. Its IUPAC name is dilithium;1-cyclopropyl-2,2-dimethylpropan-1-olate.

Molecular Properties

Compound Namedilithium;1-cyclopropyl-2,2-dimethylpropan-1-olate
PubChem CID134975920
Molecular FormulaC8H14Li2O
Molecular Weight140.08 g/mol
Exact Mass140.14
IUPAC Namedilithium;1-cyclopropyl-2,2-dimethylpropan-1-olate
SMILESCC(C)(C)C([O-])[C@@H]1[CH-]C1.[Li+].[Li+]
InChIInChI=1S/C8H14O.2Li/c1-8(2,3)7(9)6-4-5-6;;/h4,6-7H,5H2,1-3H3;;/q-2;2*+1/t6-,7?;;/m1../s1
InChIKeyAPUQORDITFEDBC-DKPBNVODSA-N
XLogP-5.01
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.08
LogP ≤ 5-5.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dilithium;1-cyclopropyl-2,2-dimethylpropan-1-olate?
The IUPAC name of dilithium;1-cyclopropyl-2,2-dimethylpropan-1-olate (CID 134975920) is dilithium;1-cyclopropyl-2,2-dimethylpropan-1-olate.
What is the SMILES notation for dilithium;1-cyclopropyl-2,2-dimethylpropan-1-olate?
The canonical SMILES for dilithium;1-cyclopropyl-2,2-dimethylpropan-1-olate is CC(C)(C)C([O-])[C@@H]1[CH-]C1.[Li+].[Li+].
What is the InChIKey of dilithium;1-cyclopropyl-2,2-dimethylpropan-1-olate?
The InChIKey is APUQORDITFEDBC-DKPBNVODSA-N. The full InChI is InChI=1S/C8H14O.2Li/c1-8(2,3)7(9)6-4-5-6;;/h4,6-7H,5H2,1-3H3;;/q-2;2*+1/t6-,7?;;/m1../s1.
What are the key properties of dilithium;1-cyclopropyl-2,2-dimethylpropan-1-olate?
dilithium;1-cyclopropyl-2,2-dimethylpropan-1-olate has a molecular weight of 140.08 g/mol, XLogP of -5.01, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;1-cyclopropyl-2,2-dimethylpropan-1-olate is sourced from PubChem (CID 134975920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).