ethane;methane;1-tritiobutane;tritiomethane;tungsten;tungsten(2+)

C17H57W2- — CID 163819696

IUPACethane;methane;1-tritiobutane;tritiomethane;tungsten;tungsten(2+)
SMILESC.C.C.C.C.C.C.C.C.C.[3H]C[CH-]CC.[3H][CH2-].[CH2-]C.[W+2].[W]
InChIInChI=1S/C4H9.C2H5.10CH4.CH3.2W/c1-3-4-2;1-2;;;;;;;;;;;;;/h3H,4H2,1-2H3;1H2,2H3;10*1H4;1H3;;/q2*-1;;;;;;;;;;;-1;;+2/i1T;;;;;;;;;;;;1T;;
InChIKeyJXTLPQYPQHZCNY-OOQZNYGHSA-N
MW633.34 g/mol
LogP9.27
Rot. Bonds2

About ethane;methane;1-tritiobutane;tritiomethane;tungsten;tungsten(2+)

ethane;methane;1-tritiobutane;tritiomethane;tungsten;tungsten(2+) (PubChem CID 163819696) has the molecular formula C17H57W2- and a molecular weight of 633.34 g/mol. Its IUPAC name is ethane;methane;1-tritiobutane;tritiomethane;tungsten;tungsten(2+).

Molecular Properties

Compound Nameethane;methane;1-tritiobutane;tritiomethane;tungsten;tungsten(2+)
PubChem CID163819696
Molecular FormulaC17H57W2-
Molecular Weight633.34 g/mol
Exact Mass633.36
IUPAC Nameethane;methane;1-tritiobutane;tritiomethane;tungsten;tungsten(2+)
SMILESC.C.C.C.C.C.C.C.C.C.[3H]C[CH-]CC.[3H][CH2-].[CH2-]C.[W+2].[W]
InChIInChI=1S/C4H9.C2H5.10CH4.CH3.2W/c1-3-4-2;1-2;;;;;;;;;;;;;/h3H,4H2,1-2H3;1H2,2H3;10*1H4;1H3;;/q2*-1;;;;;;;;;;;-1;;+2/i1T;;;;;;;;;;;;1T;;
InChIKeyJXTLPQYPQHZCNY-OOQZNYGHSA-N
XLogP9.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.34
LogP ≤ 59.27
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

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butane;methane;tungsten
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butane;carbanide;methane;yttrium
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butane;carbanide;yttrium(3+)
CID 20617495
butane;copper(1+)
CID 12885279
carbanide;ethane;zinc
CID 159908247
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CID 159906494
CID 161142397
CID 161142397
azanide;butane;titanium(2+)
CID 174478901
potassium;butane;hydrate
CID 172820423
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CID 152637603

Frequently Asked Questions

What is the IUPAC name of ethane;methane;1-tritiobutane;tritiomethane;tungsten;tungsten(2+)?
The IUPAC name of ethane;methane;1-tritiobutane;tritiomethane;tungsten;tungsten(2+) (CID 163819696) is ethane;methane;1-tritiobutane;tritiomethane;tungsten;tungsten(2+).
What is the SMILES notation for ethane;methane;1-tritiobutane;tritiomethane;tungsten;tungsten(2+)?
The canonical SMILES for ethane;methane;1-tritiobutane;tritiomethane;tungsten;tungsten(2+) is C.C.C.C.C.C.C.C.C.C.[3H]C[CH-]CC.[3H][CH2-].[CH2-]C.[W+2].[W].
What is the InChIKey of ethane;methane;1-tritiobutane;tritiomethane;tungsten;tungsten(2+)?
The InChIKey is JXTLPQYPQHZCNY-OOQZNYGHSA-N. The full InChI is InChI=1S/C4H9.C2H5.10CH4.CH3.2W/c1-3-4-2;1-2;;;;;;;;;;;;;/h3H,4H2,1-2H3;1H2,2H3;10*1H4;1H3;;/q2*-1;;;;;;;;;;;-1;;+2/i1T;;;;;;;;;;;;1T;;.
What are the key properties of ethane;methane;1-tritiobutane;tritiomethane;tungsten;tungsten(2+)?
ethane;methane;1-tritiobutane;tritiomethane;tungsten;tungsten(2+) has a molecular weight of 633.34 g/mol, XLogP of 9.27, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;1-tritiobutane;tritiomethane;tungsten;tungsten(2+) is sourced from PubChem (CID 163819696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).