lithium nonadec-2-enoate

C19H35LiO2 — CID 139791513

IUPAClithium nonadec-2-enoate
SMILESCCCCCCCCCCCCCCCCC=CC(=O)[O-].[Li+]
InChIInChI=1S/C19H36O2.Li/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21;/h17-18H,2-16H2,1H3,(H,20,21);/q;+1/p-1
InChIKeyRZXFIGTWZXLEJH-UHFFFAOYSA-M
MW302.43 g/mol
LogP2.17
Rot. Bonds16

About lithium nonadec-2-enoate

lithium nonadec-2-enoate (PubChem CID 139791513) has the molecular formula C19H35LiO2 and a molecular weight of 302.43 g/mol. Its IUPAC name is lithium nonadec-2-enoate.

Molecular Properties

Compound Namelithium nonadec-2-enoate
PubChem CID139791513
Molecular FormulaC19H35LiO2
Molecular Weight302.43 g/mol
Exact Mass302.28
IUPAC Namelithium nonadec-2-enoate
SMILESCCCCCCCCCCCCCCCCC=CC(=O)[O-].[Li+]
InChIInChI=1S/C19H36O2.Li/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21;/h17-18H,2-16H2,1H3,(H,20,21);/q;+1/p-1
InChIKeyRZXFIGTWZXLEJH-UHFFFAOYSA-M
XLogP2.17
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.43
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

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
neodymium(3+);tris(oct-2-enoate)
CID 158634826
diazanium;ethanolate;undec-2-enoate
CID 141132722
calcium bis(hept-2-enoate)
CID 141143408
lithium docosa-2,4,6,8,10,12-hexaenoate
CID 74087716
bismuth bis((2E,4E)-dodeca-2,4-dienoate)
CID 6433559
(2E,4Z,6E,8Z,10Z)-icosa-2,4,6,8,10-pentaenoate
CID 21145301
sodium icosa-2,4,6,8-tetraenoate
CID 165168536
sodium docosa-2,4,6,8,10,12-hexaenoate
CID 173150739

Frequently Asked Questions

What is the IUPAC name of lithium nonadec-2-enoate?
The IUPAC name of lithium nonadec-2-enoate (CID 139791513) is lithium nonadec-2-enoate.
What is the SMILES notation for lithium nonadec-2-enoate?
The canonical SMILES for lithium nonadec-2-enoate is CCCCCCCCCCCCCCCCC=CC(=O)[O-].[Li+].
What is the InChIKey of lithium nonadec-2-enoate?
The InChIKey is RZXFIGTWZXLEJH-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H36O2.Li/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21;/h17-18H,2-16H2,1H3,(H,20,21);/q;+1/p-1.
What are the key properties of lithium nonadec-2-enoate?
lithium nonadec-2-enoate has a molecular weight of 302.43 g/mol, XLogP of 2.17, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium nonadec-2-enoate is sourced from PubChem (CID 139791513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).