acetylene;but-2-yne;carbanide;ethane;methane;platinum(4+);propane;prop-1-yne

C29H72Pt — CID 157372173

IUPACacetylene;but-2-yne;carbanide;ethane;methane;platinum(4+);propane;prop-1-yne
SMILESC.C#C.C#CC.CC.CC.CC.CC.CC.CC.CC#CC.CCC.[CH3-].[CH3-].[CH3-].[CH3-].[Pt+4]
InChIInChI=1S/C4H6.C3H8.C3H4.6C2H6.C2H2.CH4.4CH3.Pt/c1-3-4-2;2*1-3-2;7*1-2;;;;;;/h1-2H3;3H2,1-2H3;1H,2H3;6*1-2H3;1-2H;1H4;4*1H3;/q;;;;;;;;;;;4*-1;+4
InChIKeyBJWXGXNFFCMQHY-UHFFFAOYSA-N
MW615.97 g/mol
LogP11.93
Rot. Bonds

About acetylene;but-2-yne;carbanide;ethane;methane;platinum(4+);propane;prop-1-yne

acetylene;but-2-yne;carbanide;ethane;methane;platinum(4+);propane;prop-1-yne (PubChem CID 157372173) has the molecular formula C29H72Pt and a molecular weight of 615.97 g/mol. Its IUPAC name is acetylene;but-2-yne;carbanide;ethane;methane;platinum(4+);propane;prop-1-yne.

Molecular Properties

Compound Nameacetylene;but-2-yne;carbanide;ethane;methane;platinum(4+);propane;prop-1-yne
PubChem CID157372173
Molecular FormulaC29H72Pt
Molecular Weight615.97 g/mol
Exact Mass615.53
IUPAC Nameacetylene;but-2-yne;carbanide;ethane;methane;platinum(4+);propane;prop-1-yne
SMILESC.C#C.C#CC.CC.CC.CC.CC.CC.CC.CC#CC.CCC.[CH3-].[CH3-].[CH3-].[CH3-].[Pt+4]
InChIInChI=1S/C4H6.C3H8.C3H4.6C2H6.C2H2.CH4.4CH3.Pt/c1-3-4-2;2*1-3-2;7*1-2;;;;;;/h1-2H3;3H2,1-2H3;1H,2H3;6*1-2H3;1-2H;1H4;4*1H3;/q;;;;;;;;;;;4*-1;+4
InChIKeyBJWXGXNFFCMQHY-UHFFFAOYSA-N
XLogP11.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.97
LogP ≤ 511.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of acetylene;but-2-yne;carbanide;ethane;methane;platinum(4+);propane;prop-1-yne?
The IUPAC name of acetylene;but-2-yne;carbanide;ethane;methane;platinum(4+);propane;prop-1-yne (CID 157372173) is acetylene;but-2-yne;carbanide;ethane;methane;platinum(4+);propane;prop-1-yne.
What is the SMILES notation for acetylene;but-2-yne;carbanide;ethane;methane;platinum(4+);propane;prop-1-yne?
The canonical SMILES for acetylene;but-2-yne;carbanide;ethane;methane;platinum(4+);propane;prop-1-yne is C.C#C.C#CC.CC.CC.CC.CC.CC.CC.CC#CC.CCC.[CH3-].[CH3-].[CH3-].[CH3-].[Pt+4].
What is the InChIKey of acetylene;but-2-yne;carbanide;ethane;methane;platinum(4+);propane;prop-1-yne?
The InChIKey is BJWXGXNFFCMQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6.C3H8.C3H4.6C2H6.C2H2.CH4.4CH3.Pt/c1-3-4-2;2*1-3-2;7*1-2;;;;;;/h1-2H3;3H2,1-2H3;1H,2H3;6*1-2H3;1-2H;1H4;4*1H3;/q;;;;;;;;;;;4*-1;+4.
What are the key properties of acetylene;but-2-yne;carbanide;ethane;methane;platinum(4+);propane;prop-1-yne?
acetylene;but-2-yne;carbanide;ethane;methane;platinum(4+);propane;prop-1-yne has a molecular weight of 615.97 g/mol, XLogP of 11.93, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;but-2-yne;carbanide;ethane;methane;platinum(4+);propane;prop-1-yne is sourced from PubChem (CID 157372173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).