neodymium;phosphono (Z)-octadec-9-enoate

C18H35NdO5P — CID 175084367

IUPACneodymium;phosphono (Z)-octadec-9-enoate
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)OP(=O)(O)O.[Nd]
InChIInChI=1S/C18H35O5P.Nd/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)23-24(20,21)22;/h9-10H,2-8,11-17H2,1H3,(H2,20,21,22);/b10-9-;
InChIKeySUSRNGTYEJZSPD-KVVVOXFISA-N
MW506.69 g/mol
LogP5.66
Rot. Bonds16

About neodymium;phosphono (Z)-octadec-9-enoate

neodymium;phosphono (Z)-octadec-9-enoate (PubChem CID 175084367) has the molecular formula C18H35NdO5P and a molecular weight of 506.69 g/mol. Its IUPAC name is neodymium;phosphono (Z)-octadec-9-enoate.

Molecular Properties

Compound Nameneodymium;phosphono (Z)-octadec-9-enoate
PubChem CID175084367
Molecular FormulaC18H35NdO5P
Molecular Weight506.69 g/mol
Exact Mass504.13
IUPAC Nameneodymium;phosphono (Z)-octadec-9-enoate
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)OP(=O)(O)O.[Nd]
InChIInChI=1S/C18H35O5P.Nd/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)23-24(20,21)22;/h9-10H,2-8,11-17H2,1H3,(H2,20,21,22);/b10-9-;
InChIKeySUSRNGTYEJZSPD-KVVVOXFISA-N
XLogP5.66
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.69
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

phosphono docos-13-enoate
CID 173153244
[[(Z)-hexadec-9-enoyl]oxy-hydroxyphosphoryl] (Z)-hexadec-9-enoate
CID 10057255
phosphono (Z,12R)-12-hydroxyoctadec-9-enoate
CID 87163413
potassium;hydride;phosphono decanoate
CID 173362975
trisodium;hydride;phosphono octadecanoate
CID 175375815
cerium;phosphono (Z,12R)-12-hydroxyoctadec-9-enoate
CID 175003773
[(Z)-octadec-9-enoyl] pentacosanoate
CID 170168004
[(Z)-hexadec-9-enoyl] hexadec-9-enoate
CID 173136221
hexadecanoyl octadec-9-enoate
CID 54275429
[[(Z)-octadec-9-enoyl]oxy-[tris(methylamino)methyl]phosphoryl] (Z)-octadec-9-enoate
CID 87580474
methyl (Z)-octadec-9-enoate
CID 5364509
methyl (E)-octadec-12-enoate
CID 5364503

Frequently Asked Questions

What is the IUPAC name of neodymium;phosphono (Z)-octadec-9-enoate?
The IUPAC name of neodymium;phosphono (Z)-octadec-9-enoate (CID 175084367) is neodymium;phosphono (Z)-octadec-9-enoate.
What is the SMILES notation for neodymium;phosphono (Z)-octadec-9-enoate?
The canonical SMILES for neodymium;phosphono (Z)-octadec-9-enoate is CCCCCCCC/C=C\CCCCCCCC(=O)OP(=O)(O)O.[Nd].
What is the InChIKey of neodymium;phosphono (Z)-octadec-9-enoate?
The InChIKey is SUSRNGTYEJZSPD-KVVVOXFISA-N. The full InChI is InChI=1S/C18H35O5P.Nd/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)23-24(20,21)22;/h9-10H,2-8,11-17H2,1H3,(H2,20,21,22);/b10-9-;.
What are the key properties of neodymium;phosphono (Z)-octadec-9-enoate?
neodymium;phosphono (Z)-octadec-9-enoate has a molecular weight of 506.69 g/mol, XLogP of 5.66, 16 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for neodymium;phosphono (Z)-octadec-9-enoate is sourced from PubChem (CID 175084367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).