ethane;3,4,5,6,7,8,9,10,11-nonamethyltridecane;sulfane;3,4,5,6-tetramethyloctane;tungsten

C38H92S4W5 — CID 162191243

IUPACethane;3,4,5,6,7,8,9,10,11-nonamethyltridecane;sulfane;3,4,5,6-tetramethyloctane;tungsten
SMILESCC.CC.CCC(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)CC.CCC(C)C(C)C(C)C(C)CC.S.S.S.S.[W].[W].[W].[W].[W]
InChIInChI=1S/C22H46.C12H26.2C2H6.4H2S.5W/c1-12-14(3)16(5)18(7)20(9)22(11)21(10)19(8)17(6)15(4)13-2;1-7-9(3)11(5)12(6)10(4)8-2;2*1-2;;;;;;;;;/h14-22H,12-13H2,1-11H3;9-12H,7-8H2,1-6H3;2*1-2H3;4*1H2;;;;;
InChIKeyZQIFSADQNTWUHN-UHFFFAOYSA-N
MW1596.62 g/mol
LogP14.37
Rot. Bonds15

About ethane;3,4,5,6,7,8,9,10,11-nonamethyltridecane;sulfane;3,4,5,6-tetramethyloctane;tungsten

ethane;3,4,5,6,7,8,9,10,11-nonamethyltridecane;sulfane;3,4,5,6-tetramethyloctane;tungsten (PubChem CID 162191243) has the molecular formula C38H92S4W5 and a molecular weight of 1596.62 g/mol. Its IUPAC name is ethane;3,4,5,6,7,8,9,10,11-nonamethyltridecane;sulfane;3,4,5,6-tetramethyloctane;tungsten.

Molecular Properties

Compound Nameethane;3,4,5,6,7,8,9,10,11-nonamethyltridecane;sulfane;3,4,5,6-tetramethyloctane;tungsten
PubChem CID162191243
Molecular FormulaC38H92S4W5
Molecular Weight1596.62 g/mol
Exact Mass1596.36
IUPAC Nameethane;3,4,5,6,7,8,9,10,11-nonamethyltridecane;sulfane;3,4,5,6-tetramethyloctane;tungsten
SMILESCC.CC.CCC(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)CC.CCC(C)C(C)C(C)C(C)CC.S.S.S.S.[W].[W].[W].[W].[W]
InChIInChI=1S/C22H46.C12H26.2C2H6.4H2S.5W/c1-12-14(3)16(5)18(7)20(9)22(11)21(10)19(8)17(6)15(4)13-2;1-7-9(3)11(5)12(6)10(4)8-2;2*1-2;;;;;;;;;/h14-22H,12-13H2,1-11H3;9-12H,7-8H2,1-6H3;2*1-2H3;4*1H2;;;;;
InChIKeyZQIFSADQNTWUHN-UHFFFAOYSA-N
XLogP14.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001596.62
LogP ≤ 514.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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2,3-dimethylpentane;ethane;methane
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CID 123401956
3,4,5,6,7,8,9,10,11,12,13,14,16-tridecamethylnonadecane
CID 59966829
(3R,4R)-3,4-dimethylhexane;methane
CID 159261482
(3R)-4,5-dimethylheptan-3-amine
CID 163978078
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3,4,6,7-tetramethyl-5-propylnonane
CID 91018101

Frequently Asked Questions

What is the IUPAC name of ethane;3,4,5,6,7,8,9,10,11-nonamethyltridecane;sulfane;3,4,5,6-tetramethyloctane;tungsten?
The IUPAC name of ethane;3,4,5,6,7,8,9,10,11-nonamethyltridecane;sulfane;3,4,5,6-tetramethyloctane;tungsten (CID 162191243) is ethane;3,4,5,6,7,8,9,10,11-nonamethyltridecane;sulfane;3,4,5,6-tetramethyloctane;tungsten.
What is the SMILES notation for ethane;3,4,5,6,7,8,9,10,11-nonamethyltridecane;sulfane;3,4,5,6-tetramethyloctane;tungsten?
The canonical SMILES for ethane;3,4,5,6,7,8,9,10,11-nonamethyltridecane;sulfane;3,4,5,6-tetramethyloctane;tungsten is CC.CC.CCC(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)C(C)CC.CCC(C)C(C)C(C)C(C)CC.S.S.S.S.[W].[W].[W].[W].[W].
What is the InChIKey of ethane;3,4,5,6,7,8,9,10,11-nonamethyltridecane;sulfane;3,4,5,6-tetramethyloctane;tungsten?
The InChIKey is ZQIFSADQNTWUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46.C12H26.2C2H6.4H2S.5W/c1-12-14(3)16(5)18(7)20(9)22(11)21(10)19(8)17(6)15(4)13-2;1-7-9(3)11(5)12(6)10(4)8-2;2*1-2;;;;;;;;;/h14-22H,12-13H2,1-11H3;9-12H,7-8H2,1-6H3;2*1-2H3;4*1H2;;;;;.
What are the key properties of ethane;3,4,5,6,7,8,9,10,11-nonamethyltridecane;sulfane;3,4,5,6-tetramethyloctane;tungsten?
ethane;3,4,5,6,7,8,9,10,11-nonamethyltridecane;sulfane;3,4,5,6-tetramethyloctane;tungsten has a molecular weight of 1596.62 g/mol, XLogP of 14.37, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3,4,5,6,7,8,9,10,11-nonamethyltridecane;sulfane;3,4,5,6-tetramethyloctane;tungsten is sourced from PubChem (CID 162191243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).