butane;carbanide;deuterioethyne;ethane;ethane;hexane;methane;pentane;propane;tungsten

C44H116W6-6 — CID 157145949

IUPACbutane;carbanide;deuterioethyne;ethane;ethane;hexane;methane;pentane;propane;tungsten
SMILESC.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.[2H]C#C.[CH2-]C.[CH2-]CC.[CH2-]CCC.[CH2-]CCCC.[CH2-]CCCCC.[CH3-].[W].[W].[W].[W].[W].[W]
InChIInChI=1S/C6H13.C5H11.C4H9.C3H7.9C2H6.C2H5.C2H2.3CH4.CH3.6W/c1-3-5-6-4-2;1-3-5-4-2;1-3-4-2;1-3-2;11*1-2;;;;;;;;;;/h1,3-6H2,2H3;1,3-5H2,2H3;1,3-4H2,2H3;1,3H2,2H3;9*1-2H3;1H2,2H3;1-2H;3*1H4;1H3;;;;;;/q4*-1;;;;;;;;;;-1;;;;;-1;;;;;;/i;;;;;;;;;;;;;;1D;;;;;;;;;;
InChIKeyPVAFJQMJQZPVRP-RWBXCBQBSA-N
MW1749.46 g/mol
LogP19.93
Rot. Bonds6

About butane;carbanide;deuterioethyne;ethane;ethane;hexane;methane;pentane;propane;tungsten

butane;carbanide;deuterioethyne;ethane;ethane;hexane;methane;pentane;propane;tungsten (PubChem CID 157145949) has the molecular formula C44H116W6-6 and a molecular weight of 1749.46 g/mol. Its IUPAC name is butane;carbanide;deuterioethyne;ethane;ethane;hexane;methane;pentane;propane;tungsten.

Molecular Properties

Compound Namebutane;carbanide;deuterioethyne;ethane;ethane;hexane;methane;pentane;propane;tungsten
PubChem CID157145949
Molecular FormulaC44H116W6-6
Molecular Weight1749.46 g/mol
Exact Mass1749.62
IUPAC Namebutane;carbanide;deuterioethyne;ethane;ethane;hexane;methane;pentane;propane;tungsten
SMILESC.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.[2H]C#C.[CH2-]C.[CH2-]CC.[CH2-]CCC.[CH2-]CCCC.[CH2-]CCCCC.[CH3-].[W].[W].[W].[W].[W].[W]
InChIInChI=1S/C6H13.C5H11.C4H9.C3H7.9C2H6.C2H5.C2H2.3CH4.CH3.6W/c1-3-5-6-4-2;1-3-5-4-2;1-3-4-2;1-3-2;11*1-2;;;;;;;;;;/h1,3-6H2,2H3;1,3-5H2,2H3;1,3-4H2,2H3;1,3H2,2H3;9*1-2H3;1H2,2H3;1-2H;3*1H4;1H3;;;;;;/q4*-1;;;;;;;;;;-1;;;;;-1;;;;;;/i;;;;;;;;;;;;;;1D;;;;;;;;;;
InChIKeyPVAFJQMJQZPVRP-RWBXCBQBSA-N
XLogP19.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001749.46
LogP ≤ 519.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of butane;carbanide;deuterioethyne;ethane;ethane;hexane;methane;pentane;propane;tungsten?
The IUPAC name of butane;carbanide;deuterioethyne;ethane;ethane;hexane;methane;pentane;propane;tungsten (CID 157145949) is butane;carbanide;deuterioethyne;ethane;ethane;hexane;methane;pentane;propane;tungsten.
What is the SMILES notation for butane;carbanide;deuterioethyne;ethane;ethane;hexane;methane;pentane;propane;tungsten?
The canonical SMILES for butane;carbanide;deuterioethyne;ethane;ethane;hexane;methane;pentane;propane;tungsten is C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.[2H]C#C.[CH2-]C.[CH2-]CC.[CH2-]CCC.[CH2-]CCCC.[CH2-]CCCCC.[CH3-].[W].[W].[W].[W].[W].[W].
What is the InChIKey of butane;carbanide;deuterioethyne;ethane;ethane;hexane;methane;pentane;propane;tungsten?
The InChIKey is PVAFJQMJQZPVRP-RWBXCBQBSA-N. The full InChI is InChI=1S/C6H13.C5H11.C4H9.C3H7.9C2H6.C2H5.C2H2.3CH4.CH3.6W/c1-3-5-6-4-2;1-3-5-4-2;1-3-4-2;1-3-2;11*1-2;;;;;;;;;;/h1,3-6H2,2H3;1,3-5H2,2H3;1,3-4H2,2H3;1,3H2,2H3;9*1-2H3;1H2,2H3;1-2H;3*1H4;1H3;;;;;;/q4*-1;;;;;;;;;;-1;;;;;-1;;;;;;/i;;;;;;;;;;;;;;1D;;;;;;;;;;.
What are the key properties of butane;carbanide;deuterioethyne;ethane;ethane;hexane;methane;pentane;propane;tungsten?
butane;carbanide;deuterioethyne;ethane;ethane;hexane;methane;pentane;propane;tungsten has a molecular weight of 1749.46 g/mol, XLogP of 19.93, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;carbanide;deuterioethyne;ethane;ethane;hexane;methane;pentane;propane;tungsten is sourced from PubChem (CID 157145949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).