neodymium;pentanal

C5H10NdO — CID 87838749

IUPACneodymium;pentanal
SMILESCCCCC=O.[Nd]
InChIInChI=1S/C5H10O.Nd/c1-2-3-4-5-6;/h5H,2-4H2,1H3;
InChIKeyIXLGGDLXPWXXAS-UHFFFAOYSA-N
MW230.37 g/mol
LogP1.38
Rot. Bonds3

About neodymium;pentanal

neodymium;pentanal (PubChem CID 87838749) has the molecular formula C5H10NdO and a molecular weight of 230.37 g/mol. Its IUPAC name is neodymium;pentanal.

Molecular Properties

Compound Nameneodymium;pentanal
PubChem CID87838749
Molecular FormulaC5H10NdO
Molecular Weight230.37 g/mol
Exact Mass227.98
IUPAC Nameneodymium;pentanal
SMILESCCCCC=O.[Nd]
InChIInChI=1S/C5H10O.Nd/c1-2-3-4-5-6;/h5H,2-4H2,1H3;
InChIKeyIXLGGDLXPWXXAS-UHFFFAOYSA-N
XLogP1.38
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.37
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of neodymium;pentanal?
The IUPAC name of neodymium;pentanal (CID 87838749) is neodymium;pentanal.
What is the SMILES notation for neodymium;pentanal?
The canonical SMILES for neodymium;pentanal is CCCCC=O.[Nd].
What is the InChIKey of neodymium;pentanal?
The InChIKey is IXLGGDLXPWXXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O.Nd/c1-2-3-4-5-6;/h5H,2-4H2,1H3;.
What are the key properties of neodymium;pentanal?
neodymium;pentanal has a molecular weight of 230.37 g/mol, XLogP of 1.38, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for neodymium;pentanal is sourced from PubChem (CID 87838749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).