butane;carbanide;ethane;methane;hexakis(yttrium)

C21H60Y6-6 — CID 161064104

IUPACbutane;carbanide;ethane;methane;hexakis(yttrium)
SMILESC.C.C.C.C.C.C[CH-]CC.C[CH-]CC.[CH2-]C.[CH2-]C.[CH2-]C.[CH3-].[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/2C4H9.3C2H5.6CH4.CH3.6Y/c2*1-3-4-2;3*1-2;;;;;;;;;;;;;/h2*3H,4H2,1-2H3;3*1H2,2H3;6*1H4;1H3;;;;;;/q5*-1;;;;;;;-1;;;;;;
InChIKeyAWKZWVVSCXFFLF-UHFFFAOYSA-N
MW846.15 g/mol
LogP10.01
Rot. Bonds2

About butane;carbanide;ethane;methane;hexakis(yttrium)

butane;carbanide;ethane;methane;hexakis(yttrium) (PubChem CID 161064104) has the molecular formula C21H60Y6-6 and a molecular weight of 846.15 g/mol. Its IUPAC name is butane;carbanide;ethane;methane;hexakis(yttrium).

Molecular Properties

Compound Namebutane;carbanide;ethane;methane;hexakis(yttrium)
PubChem CID161064104
Molecular FormulaC21H60Y6-6
Molecular Weight846.15 g/mol
Exact Mass845.91
IUPAC Namebutane;carbanide;ethane;methane;hexakis(yttrium)
SMILESC.C.C.C.C.C.C[CH-]CC.C[CH-]CC.[CH2-]C.[CH2-]C.[CH2-]C.[CH3-].[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/2C4H9.3C2H5.6CH4.CH3.6Y/c2*1-3-4-2;3*1-2;;;;;;;;;;;;;/h2*3H,4H2,1-2H3;3*1H2,2H3;6*1H4;1H3;;;;;;/q5*-1;;;;;;;-1;;;;;;
InChIKeyAWKZWVVSCXFFLF-UHFFFAOYSA-N
XLogP10.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500846.15
LogP ≤ 510.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

butane;carbanide;methane;yttrium
CID 157177744
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CID 162247948
butane;methane;tungsten
CID 157200339
butane;carbanide;yttrium(3+)
CID 20617495
lithium;magnesium;butane;dichloride
CID 71310571
butane;copper(1+)
CID 12885279
ethane;methane;1-tritiobutane;tritiomethane;tungsten;tungsten(2+)
CID 163819696
azanide;butane;titanium(2+)
CID 174478901
CID 161142397
CID 161142397
potassium;butane;hydrate
CID 172820423
butane;ethane;ethoxymethanol;bis(yttrium)
CID 58657612
carbanide;ethane;methane;yttrium
CID 160665272

Frequently Asked Questions

What is the IUPAC name of butane;carbanide;ethane;methane;hexakis(yttrium)?
The IUPAC name of butane;carbanide;ethane;methane;hexakis(yttrium) (CID 161064104) is butane;carbanide;ethane;methane;hexakis(yttrium).
What is the SMILES notation for butane;carbanide;ethane;methane;hexakis(yttrium)?
The canonical SMILES for butane;carbanide;ethane;methane;hexakis(yttrium) is C.C.C.C.C.C.C[CH-]CC.C[CH-]CC.[CH2-]C.[CH2-]C.[CH2-]C.[CH3-].[Y].[Y].[Y].[Y].[Y].[Y].
What is the InChIKey of butane;carbanide;ethane;methane;hexakis(yttrium)?
The InChIKey is AWKZWVVSCXFFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H9.3C2H5.6CH4.CH3.6Y/c2*1-3-4-2;3*1-2;;;;;;;;;;;;;/h2*3H,4H2,1-2H3;3*1H2,2H3;6*1H4;1H3;;;;;;/q5*-1;;;;;;;-1;;;;;;.
What are the key properties of butane;carbanide;ethane;methane;hexakis(yttrium)?
butane;carbanide;ethane;methane;hexakis(yttrium) has a molecular weight of 846.15 g/mol, XLogP of 10.01, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;carbanide;ethane;methane;hexakis(yttrium) is sourced from PubChem (CID 161064104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).