lithium (E)-5-methylsulfanylpent-2-enoate

C6H9LiO2S — CID 155859064

IUPAClithium (E)-5-methylsulfanylpent-2-enoate
SMILESCSCC/C=C/C(=O)[O-].[Li+]
InChIInChI=1S/C6H10O2S.Li/c1-9-5-3-2-4-6(7)8;/h2,4H,3,5H2,1H3,(H,7,8);/q;+1/p-1/b4-2+;
InChIKeyZMMGKLPMTJNOEA-VEELZWTKSA-M
MW152.14 g/mol
LogP-2.95
Rot. Bonds4

About lithium (E)-5-methylsulfanylpent-2-enoate

lithium (E)-5-methylsulfanylpent-2-enoate (PubChem CID 155859064) has the molecular formula C6H9LiO2S and a molecular weight of 152.14 g/mol. Its IUPAC name is lithium (E)-5-methylsulfanylpent-2-enoate.

Molecular Properties

Compound Namelithium (E)-5-methylsulfanylpent-2-enoate
PubChem CID155859064
Molecular FormulaC6H9LiO2S
Molecular Weight152.14 g/mol
Exact Mass152.05
IUPAC Namelithium (E)-5-methylsulfanylpent-2-enoate
SMILESCSCC/C=C/C(=O)[O-].[Li+]
InChIInChI=1S/C6H10O2S.Li/c1-9-5-3-2-4-6(7)8;/h2,4H,3,5H2,1H3,(H,7,8);/q;+1/p-1/b4-2+;
InChIKeyZMMGKLPMTJNOEA-VEELZWTKSA-M
XLogP-2.95
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.14
LogP ≤ 5-2.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

lithium nonadec-2-enoate
CID 139791513
calcium bis(hept-2-enoate)
CID 141143408
neodymium(3+);tris(oct-2-enoate)
CID 158634826
sodium pent-2-enoate
CID 141188038
pentasodium;pentakis((E)-pent-2-enoate)
CID 91885279
lead(2+);bis(undec-2-enoate)
CID 87254257
azanium dec-2-enoate
CID 162335967
manganese(2+);bis(undec-2-enoate)
CID 89315247
magnesium bis(dec-2-enoate)
CID 159853408
(E)-4-hydroxybut-2-enoate
CID 19770800
(E)-oct-2-enedioate
CID 22622865
diazanium;ethanolate;undec-2-enoate
CID 141132722

Frequently Asked Questions

What is the IUPAC name of lithium (E)-5-methylsulfanylpent-2-enoate?
The IUPAC name of lithium (E)-5-methylsulfanylpent-2-enoate (CID 155859064) is lithium (E)-5-methylsulfanylpent-2-enoate.
What is the SMILES notation for lithium (E)-5-methylsulfanylpent-2-enoate?
The canonical SMILES for lithium (E)-5-methylsulfanylpent-2-enoate is CSCC/C=C/C(=O)[O-].[Li+].
What is the InChIKey of lithium (E)-5-methylsulfanylpent-2-enoate?
The InChIKey is ZMMGKLPMTJNOEA-VEELZWTKSA-M. The full InChI is InChI=1S/C6H10O2S.Li/c1-9-5-3-2-4-6(7)8;/h2,4H,3,5H2,1H3,(H,7,8);/q;+1/p-1/b4-2+;.
What are the key properties of lithium (E)-5-methylsulfanylpent-2-enoate?
lithium (E)-5-methylsulfanylpent-2-enoate has a molecular weight of 152.14 g/mol, XLogP of -2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (E)-5-methylsulfanylpent-2-enoate is sourced from PubChem (CID 155859064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).