neodymium;(Z)-octadec-9-en-1-one

C18H33NdO- — CID 174545292

IUPACneodymium;(Z)-octadec-9-en-1-one
SMILESCCCCCCCC/C=C\CCCCCCC[C-]=O.[Nd]
InChIInChI=1S/C18H33O.Nd/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;/h9-10H,2-8,11-17H2,1H3;/q-1;/b10-9-;
InChIKeyIAMQLZVDHOKVSR-KVVVOXFISA-N
MW409.70 g/mol
LogP6.13
Rot. Bonds15

About neodymium;(Z)-octadec-9-en-1-one

neodymium;(Z)-octadec-9-en-1-one (PubChem CID 174545292) has the molecular formula C18H33NdO- and a molecular weight of 409.70 g/mol. Its IUPAC name is neodymium;(Z)-octadec-9-en-1-one.

Molecular Properties

Compound Nameneodymium;(Z)-octadec-9-en-1-one
PubChem CID174545292
Molecular FormulaC18H33NdO-
Molecular Weight409.70 g/mol
Exact Mass407.16
IUPAC Nameneodymium;(Z)-octadec-9-en-1-one
SMILESCCCCCCCC/C=C\CCCCCCC[C-]=O.[Nd]
InChIInChI=1S/C18H33O.Nd/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;/h9-10H,2-8,11-17H2,1H3;/q-1;/b10-9-;
InChIKeyIAMQLZVDHOKVSR-KVVVOXFISA-N
XLogP6.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.70
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

potassium;octadecan-1-one;hydroxide
CID 154614653
tridecan-1-one;zirconium(4+);trichloride
CID 159832602
nonacos-6-ene
CID 25200821
(E)-hexadec-6-ene
CID 5352260
(Z)-docos-9-ene
CID 11690102
(E)-hexacos-10-ene
CID 22172169
(E)-nonacos-10-ene
CID 14367300
triacont-12-ene
CID 54535715
(Z)-octadec-6-ene
CID 5352239
(24Z)-hexatriaconta-9,24-diene
CID 173127472
(Z)-heptacos-11-ene
CID 56936074
tetratriacont-8-ene
CID 123670593

Frequently Asked Questions

What is the IUPAC name of neodymium;(Z)-octadec-9-en-1-one?
The IUPAC name of neodymium;(Z)-octadec-9-en-1-one (CID 174545292) is neodymium;(Z)-octadec-9-en-1-one.
What is the SMILES notation for neodymium;(Z)-octadec-9-en-1-one?
The canonical SMILES for neodymium;(Z)-octadec-9-en-1-one is CCCCCCCC/C=C\CCCCCCC[C-]=O.[Nd].
What is the InChIKey of neodymium;(Z)-octadec-9-en-1-one?
The InChIKey is IAMQLZVDHOKVSR-KVVVOXFISA-N. The full InChI is InChI=1S/C18H33O.Nd/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;/h9-10H,2-8,11-17H2,1H3;/q-1;/b10-9-;.
What are the key properties of neodymium;(Z)-octadec-9-en-1-one?
neodymium;(Z)-octadec-9-en-1-one has a molecular weight of 409.70 g/mol, XLogP of 6.13, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for neodymium;(Z)-octadec-9-en-1-one is sourced from PubChem (CID 174545292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).