butane;bis(dioxido(oxo)phosphanium);3-methanidylheptane;bis(neodymium(3+))

C12H26Nd2O6P2+2 — CID 158395562

IUPACbutane;bis(dioxido(oxo)phosphanium);3-methanidylheptane;bis(neodymium(3+))
SMILESO=[P+]([O-])[O-].O=[P+]([O-])[O-].[CH2-]C(CC)CCCC.[CH2-]CCC.[Nd+3].[Nd+3]
InChIInChI=1S/C8H17.C4H9.2Nd.2HO3P/c1-4-6-7-8(3)5-2;1-3-4-2;;;2*1-4(2)3/h8H,3-7H2,1-2H3;1,3-4H2,2H3;;;2*(H,1,2,3)/q2*-1;2*+3;;/p-2
InChIKeyFCEVTFSAKSDXDJ-UHFFFAOYSA-L
MW616.76 g/mol
LogP1.39
Rot. Bonds5

About butane;bis(dioxido(oxo)phosphanium);3-methanidylheptane;bis(neodymium(3+))

butane;bis(dioxido(oxo)phosphanium);3-methanidylheptane;bis(neodymium(3+)) (PubChem CID 158395562) has the molecular formula C12H26Nd2O6P2+2 and a molecular weight of 616.76 g/mol. Its IUPAC name is butane;bis(dioxido(oxo)phosphanium);3-methanidylheptane;bis(neodymium(3+)).

Molecular Properties

Compound Namebutane;bis(dioxido(oxo)phosphanium);3-methanidylheptane;bis(neodymium(3+))
PubChem CID158395562
Molecular FormulaC12H26Nd2O6P2+2
Molecular Weight616.76 g/mol
Exact Mass611.93
IUPAC Namebutane;bis(dioxido(oxo)phosphanium);3-methanidylheptane;bis(neodymium(3+))
SMILESO=[P+]([O-])[O-].O=[P+]([O-])[O-].[CH2-]C(CC)CCCC.[CH2-]CCC.[Nd+3].[Nd+3]
InChIInChI=1S/C8H17.C4H9.2Nd.2HO3P/c1-4-6-7-8(3)5-2;1-3-4-2;;;2*1-4(2)3/h8H,3-7H2,1-2H3;1,3-4H2,2H3;;;2*(H,1,2,3)/q2*-1;2*+3;;/p-2
InChIKeyFCEVTFSAKSDXDJ-UHFFFAOYSA-L
XLogP1.39
TPSA126.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500616.76
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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CID 154097431
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CID 158042505
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3-methanidylheptane;zinc;hydrobromide
CID 90200578
dioxido(oxo)phosphanium;heptane;neodymium(3+)
CID 162000198
3-methanidylheptane;neodymium(3+);octane;phosphate
CID 160737931
bis(3-methanidylheptane);molybdenum(4+);bis(5-oxido-1,4,2,3,5λ5-dioxadithiaphospholane 5-oxide)
CID 87744183
carbamodithioic acid;3-methanidylheptane;zinc
CID 174796340
zinc;dihydroxy-sulfanyl-sulfanylidene-λ5-phosphane;bis(3-methanidylheptane)
CID 87115211
zinc;3-methanidylheptane;propane;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 174937719
zinc;dihydroxy-sulfanyl-sulfanylidene-λ5-phosphane;3-methanidylheptane;2-methanidylpropane
CID 159416043
2-methylhexane;hydrochloride
CID 172797630

Frequently Asked Questions

What is the IUPAC name of butane;bis(dioxido(oxo)phosphanium);3-methanidylheptane;bis(neodymium(3+))?
The IUPAC name of butane;bis(dioxido(oxo)phosphanium);3-methanidylheptane;bis(neodymium(3+)) (CID 158395562) is butane;bis(dioxido(oxo)phosphanium);3-methanidylheptane;bis(neodymium(3+)).
What is the SMILES notation for butane;bis(dioxido(oxo)phosphanium);3-methanidylheptane;bis(neodymium(3+))?
The canonical SMILES for butane;bis(dioxido(oxo)phosphanium);3-methanidylheptane;bis(neodymium(3+)) is O=[P+]([O-])[O-].O=[P+]([O-])[O-].[CH2-]C(CC)CCCC.[CH2-]CCC.[Nd+3].[Nd+3].
What is the InChIKey of butane;bis(dioxido(oxo)phosphanium);3-methanidylheptane;bis(neodymium(3+))?
The InChIKey is FCEVTFSAKSDXDJ-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H17.C4H9.2Nd.2HO3P/c1-4-6-7-8(3)5-2;1-3-4-2;;;2*1-4(2)3/h8H,3-7H2,1-2H3;1,3-4H2,2H3;;;2*(H,1,2,3)/q2*-1;2*+3;;/p-2.
What are the key properties of butane;bis(dioxido(oxo)phosphanium);3-methanidylheptane;bis(neodymium(3+))?
butane;bis(dioxido(oxo)phosphanium);3-methanidylheptane;bis(neodymium(3+)) has a molecular weight of 616.76 g/mol, XLogP of 1.39, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for butane;bis(dioxido(oxo)phosphanium);3-methanidylheptane;bis(neodymium(3+)) is sourced from PubChem (CID 158395562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).