lithium (Z)-3,4,4-trimethylpent-2-en-2-olate

C8H15LiO — CID 134874168

IUPAClithium (Z)-3,4,4-trimethylpent-2-en-2-olate
SMILESC/C([O-])=C(\C)C(C)(C)C.[Li+]
InChIInChI=1S/C8H16O.Li/c1-6(7(2)9)8(3,4)5;/h9H,1-5H3;/q;+1/p-1/b7-6-;
InChIKeyMZJJVTLFQUKTCN-NAFXZHHSSA-M
MW134.15 g/mol
LogP-1.31
Rot. Bonds

About lithium (Z)-3,4,4-trimethylpent-2-en-2-olate

lithium (Z)-3,4,4-trimethylpent-2-en-2-olate (PubChem CID 134874168) has the molecular formula C8H15LiO and a molecular weight of 134.15 g/mol. Its IUPAC name is lithium (Z)-3,4,4-trimethylpent-2-en-2-olate.

Molecular Properties

Compound Namelithium (Z)-3,4,4-trimethylpent-2-en-2-olate
PubChem CID134874168
Molecular FormulaC8H15LiO
Molecular Weight134.15 g/mol
Exact Mass134.13
IUPAC Namelithium (Z)-3,4,4-trimethylpent-2-en-2-olate
SMILESC/C([O-])=C(\C)C(C)(C)C.[Li+]
InChIInChI=1S/C8H16O.Li/c1-6(7(2)9)8(3,4)5;/h9H,1-5H3;/q;+1/p-1/b7-6-;
InChIKeyMZJJVTLFQUKTCN-NAFXZHHSSA-M
XLogP-1.31
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.15
LogP ≤ 5-1.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of lithium (Z)-3,4,4-trimethylpent-2-en-2-olate?
The IUPAC name of lithium (Z)-3,4,4-trimethylpent-2-en-2-olate (CID 134874168) is lithium (Z)-3,4,4-trimethylpent-2-en-2-olate.
What is the SMILES notation for lithium (Z)-3,4,4-trimethylpent-2-en-2-olate?
The canonical SMILES for lithium (Z)-3,4,4-trimethylpent-2-en-2-olate is C/C([O-])=C(\C)C(C)(C)C.[Li+].
What is the InChIKey of lithium (Z)-3,4,4-trimethylpent-2-en-2-olate?
The InChIKey is MZJJVTLFQUKTCN-NAFXZHHSSA-M. The full InChI is InChI=1S/C8H16O.Li/c1-6(7(2)9)8(3,4)5;/h9H,1-5H3;/q;+1/p-1/b7-6-;.
What are the key properties of lithium (Z)-3,4,4-trimethylpent-2-en-2-olate?
lithium (Z)-3,4,4-trimethylpent-2-en-2-olate has a molecular weight of 134.15 g/mol, XLogP of -1.31, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (Z)-3,4,4-trimethylpent-2-en-2-olate is sourced from PubChem (CID 134874168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).