lithium (3E)-2,2,4,5-tetramethylhexa-3,5-dien-3-olate

C10H17LiO — CID 134987526

IUPAClithium (3E)-2,2,4,5-tetramethylhexa-3,5-dien-3-olate
SMILESC=C(C)/C(C)=C(/[O-])C(C)(C)C.[Li+]
InChIInChI=1S/C10H18O.Li/c1-7(2)8(3)9(11)10(4,5)6;/h11H,1H2,2-6H3;/q;+1/p-1/b9-8+;
InChIKeyMQAAOAQOFFAVIL-HRNDJLQDSA-M
MW160.19 g/mol
LogP-0.75
Rot. Bonds1

About lithium (3E)-2,2,4,5-tetramethylhexa-3,5-dien-3-olate

lithium (3E)-2,2,4,5-tetramethylhexa-3,5-dien-3-olate (PubChem CID 134987526) has the molecular formula C10H17LiO and a molecular weight of 160.19 g/mol. Its IUPAC name is lithium (3E)-2,2,4,5-tetramethylhexa-3,5-dien-3-olate.

Molecular Properties

Compound Namelithium (3E)-2,2,4,5-tetramethylhexa-3,5-dien-3-olate
PubChem CID134987526
Molecular FormulaC10H17LiO
Molecular Weight160.19 g/mol
Exact Mass160.14
IUPAC Namelithium (3E)-2,2,4,5-tetramethylhexa-3,5-dien-3-olate
SMILESC=C(C)/C(C)=C(/[O-])C(C)(C)C.[Li+]
InChIInChI=1S/C10H18O.Li/c1-7(2)8(3)9(11)10(4,5)6;/h11H,1H2,2-6H3;/q;+1/p-1/b9-8+;
InChIKeyMQAAOAQOFFAVIL-HRNDJLQDSA-M
XLogP-0.75
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.19
LogP ≤ 5-0.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

lithium (Z)-3,4,4-trimethylpent-2-en-2-olate
CID 134874168
(3Z)-N-tert-butyl-3,4,5-trimethyl-N-propan-2-ylhexa-1,3,5-trien-2-amine
CID 170294988
2-methylprop-2-enoate
CID 19005746
(3E)-3-tert-butyl-2,4,5,5-tetramethylhexa-1,3-diene
CID 157253395
lithium 1-[(2-methylpropan-2-yl)oxy]ethenolate
CID 10464342
(3E)-2,3,4,5,5,6-hexamethylocta-1,3,6-triene
CID 157075274
bis(2-methylprop-2-enoate);samarium
CID 175299700
gadolinium(3+);tris(2-methylprop-2-enoate)
CID 162156326
hexakis(2-methylprop-2-enoate);molybdenum
CID 173015670
3,4-dimethylpenta-2,4-dien-2-ylsilane
CID 154334462
potassium;prop-1-en-2-olate;hydrofluoride
CID 154632786
bis(3,3-dimethyl-2-methylidenebutanoate);iron(2+)
CID 175333497

Frequently Asked Questions

What is the IUPAC name of lithium (3E)-2,2,4,5-tetramethylhexa-3,5-dien-3-olate?
The IUPAC name of lithium (3E)-2,2,4,5-tetramethylhexa-3,5-dien-3-olate (CID 134987526) is lithium (3E)-2,2,4,5-tetramethylhexa-3,5-dien-3-olate.
What is the SMILES notation for lithium (3E)-2,2,4,5-tetramethylhexa-3,5-dien-3-olate?
The canonical SMILES for lithium (3E)-2,2,4,5-tetramethylhexa-3,5-dien-3-olate is C=C(C)/C(C)=C(/[O-])C(C)(C)C.[Li+].
What is the InChIKey of lithium (3E)-2,2,4,5-tetramethylhexa-3,5-dien-3-olate?
The InChIKey is MQAAOAQOFFAVIL-HRNDJLQDSA-M. The full InChI is InChI=1S/C10H18O.Li/c1-7(2)8(3)9(11)10(4,5)6;/h11H,1H2,2-6H3;/q;+1/p-1/b9-8+;.
What are the key properties of lithium (3E)-2,2,4,5-tetramethylhexa-3,5-dien-3-olate?
lithium (3E)-2,2,4,5-tetramethylhexa-3,5-dien-3-olate has a molecular weight of 160.19 g/mol, XLogP of -0.75, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (3E)-2,2,4,5-tetramethylhexa-3,5-dien-3-olate is sourced from PubChem (CID 134987526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).