lithium (Z)-octadec-9-en-1-olate

C18H35LiO — CID 135077819

IUPAClithium (Z)-octadec-9-en-1-olate
SMILESCCCCCCCC/C=C\CCCCCCCC[O-].[Li+]
InChIInChI=1S/C18H35O.Li/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;/h9-10H,2-8,11-18H2,1H3;/q-1;+1/b10-9-;
InChIKeyFWAWQBARKBVFLC-KVVVOXFISA-N
MW274.42 g/mol
LogP2.39
Rot. Bonds15

About lithium (Z)-octadec-9-en-1-olate

lithium (Z)-octadec-9-en-1-olate (PubChem CID 135077819) has the molecular formula C18H35LiO and a molecular weight of 274.42 g/mol. Its IUPAC name is lithium (Z)-octadec-9-en-1-olate.

Molecular Properties

Compound Namelithium (Z)-octadec-9-en-1-olate
PubChem CID135077819
Molecular FormulaC18H35LiO
Molecular Weight274.42 g/mol
Exact Mass274.28
IUPAC Namelithium (Z)-octadec-9-en-1-olate
SMILESCCCCCCCC/C=C\CCCCCCCC[O-].[Li+]
InChIInChI=1S/C18H35O.Li/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;/h9-10H,2-8,11-18H2,1H3;/q-1;+1/b10-9-;
InChIKeyFWAWQBARKBVFLC-KVVVOXFISA-N
XLogP2.39
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.42
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

tetrakis((Z)-octadec-9-en-1-olate);bis(titanium(2+))
CID 20838913
(E)-hexacos-10-ene
CID 22172169
(Z)-docos-9-ene
CID 11690102
(E)-hexadec-6-ene
CID 5352260
(E)-nonacos-10-ene
CID 14367300
tetratriacont-8-ene
CID 123670593
(E)-icos-10-ene
CID 10468895
heptatriacont-13-ene
CID 71378710
(E)-docos-6-ene
CID 22172020
triacont-12-ene
CID 54535715
(Z)-octadec-6-ene
CID 5352239
(24Z)-hexatriaconta-9,24-diene
CID 173127472

Frequently Asked Questions

What is the IUPAC name of lithium (Z)-octadec-9-en-1-olate?
The IUPAC name of lithium (Z)-octadec-9-en-1-olate (CID 135077819) is lithium (Z)-octadec-9-en-1-olate.
What is the SMILES notation for lithium (Z)-octadec-9-en-1-olate?
The canonical SMILES for lithium (Z)-octadec-9-en-1-olate is CCCCCCCC/C=C\CCCCCCCC[O-].[Li+].
What is the InChIKey of lithium (Z)-octadec-9-en-1-olate?
The InChIKey is FWAWQBARKBVFLC-KVVVOXFISA-N. The full InChI is InChI=1S/C18H35O.Li/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;/h9-10H,2-8,11-18H2,1H3;/q-1;+1/b10-9-;.
What are the key properties of lithium (Z)-octadec-9-en-1-olate?
lithium (Z)-octadec-9-en-1-olate has a molecular weight of 274.42 g/mol, XLogP of 2.39, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (Z)-octadec-9-en-1-olate is sourced from PubChem (CID 135077819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).