lanthanum;tris((Z)-tetradec-9-enoic acid)

C42H78LaO6 — CID 155704268

IUPAClanthanum;tris((Z)-tetradec-9-enoic acid)
SMILESCCCC/C=C\CCCCCCCC(=O)O.CCCC/C=C\CCCCCCCC(=O)O.CCCC/C=C\CCCCCCCC(=O)O.[La]
InChIInChI=1S/3C14H26O2.La/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;/h3*5-6H,2-4,7-13H2,1H3,(H,15,16);/b3*6-5-;
InChIKeyIAVCWZPFIHKWGC-YFTRRBBBSA-N
MW817.99 g/mol
LogP13.64
Rot. Bonds33

About lanthanum;tris((Z)-tetradec-9-enoic acid)

lanthanum;tris((Z)-tetradec-9-enoic acid) (PubChem CID 155704268) has the molecular formula C42H78LaO6 and a molecular weight of 817.99 g/mol. Its IUPAC name is lanthanum;tris((Z)-tetradec-9-enoic acid).

Molecular Properties

Compound Namelanthanum;tris((Z)-tetradec-9-enoic acid)
PubChem CID155704268
Molecular FormulaC42H78LaO6
Molecular Weight817.99 g/mol
Exact Mass817.49
IUPAC Namelanthanum;tris((Z)-tetradec-9-enoic acid)
SMILESCCCC/C=C\CCCCCCCC(=O)O.CCCC/C=C\CCCCCCCC(=O)O.CCCC/C=C\CCCCCCCC(=O)O.[La]
InChIInChI=1S/3C14H26O2.La/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;/h3*5-6H,2-4,7-13H2,1H3,(H,15,16);/b3*6-5-;
InChIKeyIAVCWZPFIHKWGC-YFTRRBBBSA-N
XLogP13.64
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds33
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500817.99
LogP ≤ 513.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

(E)-tetradec-9-enoic acid
CID 5312402
(E)-hexadec-11-enoic acid
CID 5312413
(E)-tricos-18-enoic acid
CID 20847589
(E)-nonadec-14-enoic acid
CID 101410255
iron;(Z)-octadec-13-enoic acid
CID 175306655
praseodymium;(Z)-tetradec-9-enoic acid
CID 155169102
nickel;bis((Z)-tetradec-9-enoic acid)
CID 155704204
erbium;(Z)-tetradec-9-enoic acid
CID 155169208
dysprosium;tris((Z)-tetradec-9-enoic acid)
CID 155704207
tetradecanoic acid;tetradec-9-enoic acid
CID 162088286
lithium;hydride;tetradec-9-enoic acid
CID 173353076
tetradec-8-enoic acid
CID 54338786

Frequently Asked Questions

What is the IUPAC name of lanthanum;tris((Z)-tetradec-9-enoic acid)?
The IUPAC name of lanthanum;tris((Z)-tetradec-9-enoic acid) (CID 155704268) is lanthanum;tris((Z)-tetradec-9-enoic acid).
What is the SMILES notation for lanthanum;tris((Z)-tetradec-9-enoic acid)?
The canonical SMILES for lanthanum;tris((Z)-tetradec-9-enoic acid) is CCCC/C=C\CCCCCCCC(=O)O.CCCC/C=C\CCCCCCCC(=O)O.CCCC/C=C\CCCCCCCC(=O)O.[La].
What is the InChIKey of lanthanum;tris((Z)-tetradec-9-enoic acid)?
The InChIKey is IAVCWZPFIHKWGC-YFTRRBBBSA-N. The full InChI is InChI=1S/3C14H26O2.La/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;/h3*5-6H,2-4,7-13H2,1H3,(H,15,16);/b3*6-5-;.
What are the key properties of lanthanum;tris((Z)-tetradec-9-enoic acid)?
lanthanum;tris((Z)-tetradec-9-enoic acid) has a molecular weight of 817.99 g/mol, XLogP of 13.64, 33 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lanthanum;tris((Z)-tetradec-9-enoic acid) is sourced from PubChem (CID 155704268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).