lithium dec-9-enoate

C10H17LiO2 — CID 23716774

IUPAClithium dec-9-enoate
SMILESC=CCCCCCCCC(=O)[O-].[Li+]
InChIInChI=1S/C10H18O2.Li/c1-2-3-4-5-6-7-8-9-10(11)12;/h2H,1,3-9H2,(H,11,12);/q;+1/p-1
InChIKeyPVFAFRHSWKTGDD-UHFFFAOYSA-M
MW176.19 g/mol
LogP-1.34
Rot. Bonds8

About lithium dec-9-enoate

lithium dec-9-enoate (PubChem CID 23716774) has the molecular formula C10H17LiO2 and a molecular weight of 176.19 g/mol. Its IUPAC name is lithium dec-9-enoate.

Molecular Properties

Compound Namelithium dec-9-enoate
PubChem CID23716774
Molecular FormulaC10H17LiO2
Molecular Weight176.19 g/mol
Exact Mass176.14
IUPAC Namelithium dec-9-enoate
SMILESC=CCCCCCCCC(=O)[O-].[Li+]
InChIInChI=1S/C10H18O2.Li/c1-2-3-4-5-6-7-8-9-10(11)12;/h2H,1,3-9H2,(H,11,12);/q;+1/p-1
InChIKeyPVFAFRHSWKTGDD-UHFFFAOYSA-M
XLogP-1.34
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.19
LogP ≤ 5-1.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cobalt;undec-10-enoate
CID 160733678
iron(2+);bis(undec-10-enoate)
CID 89315244
calcium undec-10-enoate
CID 23617473
diethylalumanylium;undec-10-enoate
CID 21401828
indium(3+);octadec-1-ene;tris(tetradecanoate)
CID 175277283
5-[bis(4-carboxybutyl)-tetracos-23-enylazaniumyl]pentanoate
CID 177410740
tricosa-1,22-dien-12-one
CID 86210796
tridecanedioate
CID 6994474
4-[bis(3-carboxypropyl)-nonadec-18-enylazaniumyl]butanoate
CID 177486419
lithium 2-[methyl(oct-7-enoyl)amino]acetate
CID 102117359
4-[bis(3-carboxypropyl)-tridec-12-enylazaniumyl]butanoate
CID 177447962
tritriacont-32-enoic acid
CID 54063641

Frequently Asked Questions

What is the IUPAC name of lithium dec-9-enoate?
The IUPAC name of lithium dec-9-enoate (CID 23716774) is lithium dec-9-enoate.
What is the SMILES notation for lithium dec-9-enoate?
The canonical SMILES for lithium dec-9-enoate is C=CCCCCCCCC(=O)[O-].[Li+].
What is the InChIKey of lithium dec-9-enoate?
The InChIKey is PVFAFRHSWKTGDD-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H18O2.Li/c1-2-3-4-5-6-7-8-9-10(11)12;/h2H,1,3-9H2,(H,11,12);/q;+1/p-1.
What are the key properties of lithium dec-9-enoate?
lithium dec-9-enoate has a molecular weight of 176.19 g/mol, XLogP of -1.34, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium dec-9-enoate is sourced from PubChem (CID 23716774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).