carbanide;(E)-2,4-dimethylhex-1-ene-1-thiol;ethane;methane;methoxymethane;N-methylacetamide;trimethyl(trimethylsilyloxy)silane;tungsten(2+)

C24H63NO3SSi2W — CID 159928290

IUPACcarbanide;(E)-2,4-dimethylhex-1-ene-1-thiol;ethane;methane;methoxymethane;N-methylacetamide;trimethyl(trimethylsilyloxy)silane;tungsten(2+)
SMILESC.CC.CCC(C)C/C(C)=C/S.CNC(C)=O.COC.C[Si](C)(C)O[Si](C)(C)C.[CH3-].[CH3-].[W+2]
InChIInChI=1S/C8H16S.C6H18OSi2.C3H7NO.C2H6O.C2H6.CH4.2CH3.W/c1-4-7(2)5-8(3)6-9;1-8(2,3)7-9(4,5)6;1-3(5)4-2;1-3-2;1-2;;;;/h6-7,9H,4-5H2,1-3H3;1-6H3;1-2H3,(H,4,5);1-2H3;1-2H3;1H4;2*1H3;/q;;;;;;2*-1;+2/b8-6+;;;;;;;;
InChIKeyNZHQHQVYKJGJPM-KFYUECSOSA-N
MW685.85 g/mol
LogP8.50
Rot. Bonds5

About carbanide;(E)-2,4-dimethylhex-1-ene-1-thiol;ethane;methane;methoxymethane;N-methylacetamide;trimethyl(trimethylsilyloxy)silane;tungsten(2+)

carbanide;(E)-2,4-dimethylhex-1-ene-1-thiol;ethane;methane;methoxymethane;N-methylacetamide;trimethyl(trimethylsilyloxy)silane;tungsten(2+) (PubChem CID 159928290) has the molecular formula C24H63NO3SSi2W and a molecular weight of 685.85 g/mol. Its IUPAC name is carbanide;(E)-2,4-dimethylhex-1-ene-1-thiol;ethane;methane;methoxymethane;N-methylacetamide;trimethyl(trimethylsilyloxy)silane;tungsten(2+).

Molecular Properties

Compound Namecarbanide;(E)-2,4-dimethylhex-1-ene-1-thiol;ethane;methane;methoxymethane;N-methylacetamide;trimethyl(trimethylsilyloxy)silane;tungsten(2+)
PubChem CID159928290
Molecular FormulaC24H63NO3SSi2W
Molecular Weight685.85 g/mol
Exact Mass685.36
IUPAC Namecarbanide;(E)-2,4-dimethylhex-1-ene-1-thiol;ethane;methane;methoxymethane;N-methylacetamide;trimethyl(trimethylsilyloxy)silane;tungsten(2+)
SMILESC.CC.CCC(C)C/C(C)=C/S.CNC(C)=O.COC.C[Si](C)(C)O[Si](C)(C)C.[CH3-].[CH3-].[W+2]
InChIInChI=1S/C8H16S.C6H18OSi2.C3H7NO.C2H6O.C2H6.CH4.2CH3.W/c1-4-7(2)5-8(3)6-9;1-8(2,3)7-9(4,5)6;1-3(5)4-2;1-3-2;1-2;;;;/h6-7,9H,4-5H2,1-3H3;1-6H3;1-2H3,(H,4,5);1-2H3;1-2H3;1H4;2*1H3;/q;;;;;;2*-1;+2/b8-6+;;;;;;;;
InChIKeyNZHQHQVYKJGJPM-KFYUECSOSA-N
XLogP8.50
TPSA47.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500685.85
LogP ≤ 58.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carbanide;(E)-2,4-dimethylhex-1-ene-1-thiol;ethane;methane;methoxymethane;N-methylacetamide;trimethyl(trimethylsilyloxy)silane;tungsten(2+)?
The IUPAC name of carbanide;(E)-2,4-dimethylhex-1-ene-1-thiol;ethane;methane;methoxymethane;N-methylacetamide;trimethyl(trimethylsilyloxy)silane;tungsten(2+) (CID 159928290) is carbanide;(E)-2,4-dimethylhex-1-ene-1-thiol;ethane;methane;methoxymethane;N-methylacetamide;trimethyl(trimethylsilyloxy)silane;tungsten(2+).
What is the SMILES notation for carbanide;(E)-2,4-dimethylhex-1-ene-1-thiol;ethane;methane;methoxymethane;N-methylacetamide;trimethyl(trimethylsilyloxy)silane;tungsten(2+)?
The canonical SMILES for carbanide;(E)-2,4-dimethylhex-1-ene-1-thiol;ethane;methane;methoxymethane;N-methylacetamide;trimethyl(trimethylsilyloxy)silane;tungsten(2+) is C.CC.CCC(C)C/C(C)=C/S.CNC(C)=O.COC.C[Si](C)(C)O[Si](C)(C)C.[CH3-].[CH3-].[W+2].
What is the InChIKey of carbanide;(E)-2,4-dimethylhex-1-ene-1-thiol;ethane;methane;methoxymethane;N-methylacetamide;trimethyl(trimethylsilyloxy)silane;tungsten(2+)?
The InChIKey is NZHQHQVYKJGJPM-KFYUECSOSA-N. The full InChI is InChI=1S/C8H16S.C6H18OSi2.C3H7NO.C2H6O.C2H6.CH4.2CH3.W/c1-4-7(2)5-8(3)6-9;1-8(2,3)7-9(4,5)6;1-3(5)4-2;1-3-2;1-2;;;;/h6-7,9H,4-5H2,1-3H3;1-6H3;1-2H3,(H,4,5);1-2H3;1-2H3;1H4;2*1H3;/q;;;;;;2*-1;+2/b8-6+;;;;;;;;.
What are the key properties of carbanide;(E)-2,4-dimethylhex-1-ene-1-thiol;ethane;methane;methoxymethane;N-methylacetamide;trimethyl(trimethylsilyloxy)silane;tungsten(2+)?
carbanide;(E)-2,4-dimethylhex-1-ene-1-thiol;ethane;methane;methoxymethane;N-methylacetamide;trimethyl(trimethylsilyloxy)silane;tungsten(2+) has a molecular weight of 685.85 g/mol, XLogP of 8.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;(E)-2,4-dimethylhex-1-ene-1-thiol;ethane;methane;methoxymethane;N-methylacetamide;trimethyl(trimethylsilyloxy)silane;tungsten(2+) is sourced from PubChem (CID 159928290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).