lithium (E)-5-methyldec-7-en-5-olate

C11H21LiO — CID 20702568

IUPAClithium (E)-5-methyldec-7-en-5-olate
SMILESCC/C=C/CC(C)([O-])CCCC.[Li+]
InChIInChI=1S/C11H21O.Li/c1-4-6-8-10-11(3,12)9-7-5-2;/h6,8H,4-5,7,9-10H2,1-3H3;/q-1;+1/b8-6+;
InChIKeyRREPPIGLGDOHPF-WVLIHFOGSA-N
MW176.23 g/mol
LogP-0.34
Rot. Bonds6

About lithium (E)-5-methyldec-7-en-5-olate

lithium (E)-5-methyldec-7-en-5-olate (PubChem CID 20702568) has the molecular formula C11H21LiO and a molecular weight of 176.23 g/mol. Its IUPAC name is lithium (E)-5-methyldec-7-en-5-olate.

Molecular Properties

Compound Namelithium (E)-5-methyldec-7-en-5-olate
PubChem CID20702568
Molecular FormulaC11H21LiO
Molecular Weight176.23 g/mol
Exact Mass176.18
IUPAC Namelithium (E)-5-methyldec-7-en-5-olate
SMILESCC/C=C/CC(C)([O-])CCCC.[Li+]
InChIInChI=1S/C11H21O.Li/c1-4-6-8-10-11(3,12)9-7-5-2;/h6,8H,4-5,7,9-10H2,1-3H3;/q-1;+1/b8-6+;
InChIKeyRREPPIGLGDOHPF-WVLIHFOGSA-N
XLogP-0.34
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.23
LogP ≤ 5-0.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium (E)-5-methyldec-7-en-5-olate?
The IUPAC name of lithium (E)-5-methyldec-7-en-5-olate (CID 20702568) is lithium (E)-5-methyldec-7-en-5-olate.
What is the SMILES notation for lithium (E)-5-methyldec-7-en-5-olate?
The canonical SMILES for lithium (E)-5-methyldec-7-en-5-olate is CC/C=C/CC(C)([O-])CCCC.[Li+].
What is the InChIKey of lithium (E)-5-methyldec-7-en-5-olate?
The InChIKey is RREPPIGLGDOHPF-WVLIHFOGSA-N. The full InChI is InChI=1S/C11H21O.Li/c1-4-6-8-10-11(3,12)9-7-5-2;/h6,8H,4-5,7,9-10H2,1-3H3;/q-1;+1/b8-6+;.
What are the key properties of lithium (E)-5-methyldec-7-en-5-olate?
lithium (E)-5-methyldec-7-en-5-olate has a molecular weight of 176.23 g/mol, XLogP of -0.34, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (E)-5-methyldec-7-en-5-olate is sourced from PubChem (CID 20702568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).