lithium (Z)-non-4-en-5-olate

C9H17LiO — CID 23684731

IUPAClithium (Z)-non-4-en-5-olate
SMILESCCC/C=C(\[O-])CCCC.[Li+]
InChIInChI=1S/C9H18O.Li/c1-3-5-7-9(10)8-6-4-2;/h7,10H,3-6,8H2,1-2H3;/q;+1/p-1/b9-7-;
InChIKeyLMDAUNNHKFIFAQ-VILQZVERSA-M
MW148.17 g/mol
LogP-0.78
Rot. Bonds5

About lithium (Z)-non-4-en-5-olate

lithium (Z)-non-4-en-5-olate (PubChem CID 23684731) has the molecular formula C9H17LiO and a molecular weight of 148.17 g/mol. Its IUPAC name is lithium (Z)-non-4-en-5-olate.

Molecular Properties

Compound Namelithium (Z)-non-4-en-5-olate
PubChem CID23684731
Molecular FormulaC9H17LiO
Molecular Weight148.17 g/mol
Exact Mass148.14
IUPAC Namelithium (Z)-non-4-en-5-olate
SMILESCCC/C=C(\[O-])CCCC.[Li+]
InChIInChI=1S/C9H18O.Li/c1-3-5-7-9(10)8-6-4-2;/h7,10H,3-6,8H2,1-2H3;/q;+1/p-1/b9-7-;
InChIKeyLMDAUNNHKFIFAQ-VILQZVERSA-M
XLogP-0.78
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.17
LogP ≤ 5-0.78
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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Related Compounds

potassium (E)-18-hydroxy-18-oxooctadec-9-en-9-olate
CID 101326142
(Z)-5-prop-1-en-2-ylnon-4-ene
CID 177440529
5-butylicos-4-ene
CID 54084142
(E)-5-butyltridec-4-ene
CID 12531554
lithium hept-2-en-2-olate
CID 134859584
(E)-2-methylhex-2-enoate;2-methylidenehexanoate
CID 21275729
calcium bis((Z)-2-butylhept-2-enoate)
CID 146310962
(E)-5-ethyldec-4-ene
CID 173194379
(6E)-2,6-dimethyldeca-2,6-diene;2-methylhex-1-ene;2-methylhex-2-ene
CID 162079708
5-butyldec-5-ene
CID 15367252
[(1E,3E)-2-butyl-3-propylhepta-1,3-dienyl]-trimethylsilane
CID 101455170
5-ethyldodec-4-ene
CID 123814834

Frequently Asked Questions

What is the IUPAC name of lithium (Z)-non-4-en-5-olate?
The IUPAC name of lithium (Z)-non-4-en-5-olate (CID 23684731) is lithium (Z)-non-4-en-5-olate.
What is the SMILES notation for lithium (Z)-non-4-en-5-olate?
The canonical SMILES for lithium (Z)-non-4-en-5-olate is CCC/C=C(\[O-])CCCC.[Li+].
What is the InChIKey of lithium (Z)-non-4-en-5-olate?
The InChIKey is LMDAUNNHKFIFAQ-VILQZVERSA-M. The full InChI is InChI=1S/C9H18O.Li/c1-3-5-7-9(10)8-6-4-2;/h7,10H,3-6,8H2,1-2H3;/q;+1/p-1/b9-7-;.
What are the key properties of lithium (Z)-non-4-en-5-olate?
lithium (Z)-non-4-en-5-olate has a molecular weight of 148.17 g/mol, XLogP of -0.78, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (Z)-non-4-en-5-olate is sourced from PubChem (CID 23684731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).