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

C38H100Pt — CID 165040725

IUPACacetylene;but-2-yne;carbanide;ethane;methane;platinum(4+);propane;prop-1-yne
SMILESC.C.C.C.C.C#C.C#CC.CC.CC.CC.CC.CC#CC.CCC.CCC.CCC.CCC.[CH3-].[CH3-].[CH3-].[CH3-].[Pt+4]
InChIInChI=1S/C4H6.4C3H8.C3H4.4C2H6.C2H2.5CH4.4CH3.Pt/c1-3-4-2;5*1-3-2;5*1-2;;;;;;;;;;/h1-2H3;4*3H2,1-2H3;1H,2H3;4*1-2H3;1-2H;5*1H4;4*1H3;/q;;;;;;;;;;;;;;;;4*-1;+4
InChIKeyOBXKFCPLAFZHGH-UHFFFAOYSA-N
MW752.30 g/mol
LogP16.67
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 165040725) has the molecular formula C38H100Pt and a molecular weight of 752.30 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 CID165040725
Molecular FormulaC38H100Pt
Molecular Weight752.30 g/mol
Exact Mass751.75
IUPAC Nameacetylene;but-2-yne;carbanide;ethane;methane;platinum(4+);propane;prop-1-yne
SMILESC.C.C.C.C.C#C.C#CC.CC.CC.CC.CC.CC#CC.CCC.CCC.CCC.CCC.[CH3-].[CH3-].[CH3-].[CH3-].[Pt+4]
InChIInChI=1S/C4H6.4C3H8.C3H4.4C2H6.C2H2.5CH4.4CH3.Pt/c1-3-4-2;5*1-3-2;5*1-2;;;;;;;;;;/h1-2H3;4*3H2,1-2H3;1H,2H3;4*1-2H3;1-2H;5*1H4;4*1H3;/q;;;;;;;;;;;;;;;;4*-1;+4
InChIKeyOBXKFCPLAFZHGH-UHFFFAOYSA-N
XLogP16.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500752.30
LogP ≤ 516.67
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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Related Compounds

Ethane;propane;prop-1-yne
CID 141782354
Butane;ethane;prop-1-yne
CID 142051342
Butane;ethane;propane;prop-1-yne
CID 142054729
Ethane;methane;prop-1-yne
CID 143333959
Ethane;propane;prop-1-yne
CID 143714414
Ethane;prop-1-yne
CID 143714655
Acetylene;but-2-yne;ethane;prop-1-yne
CID 144527345
Butane;ethane;prop-1-yne
CID 155747603
CID 157220763
CID 157220763
Acetylene;but-2-yne;deca-1,3,5,7,9-pentayne;hepta-1,3,5-triyne;hexa-1,3,5-triyne;methane;nona-1,3,5,7-tetrayne;octa-2,4,6-triyne;penta-1,3-diyne;prop-1-yne
CID 157224213
CID 157259577
CID 157259577
Acetylene;but-2-yne;carbanide;ethane;methane;platinum(4+);propane;prop-1-yne
CID 157372173

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 165040725) 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.C.C#C.C#CC.CC.CC.CC.CC.CC#CC.CCC.CCC.CCC.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 OBXKFCPLAFZHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6.4C3H8.C3H4.4C2H6.C2H2.5CH4.4CH3.Pt/c1-3-4-2;5*1-3-2;5*1-2;;;;;;;;;;/h1-2H3;4*3H2,1-2H3;1H,2H3;4*1-2H3;1-2H;5*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 752.30 g/mol, XLogP of 16.67, 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 165040725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).