tetrakis(1,3-bis(dimethylamino)-2-[(dimethylamino)methyl]propan-2-olate);decakis(oxygen(2-));tungsten;tetrahydrate

C40H104N12O18W4-24 — CID 139158845

IUPACtetrakis(1,3-bis(dimethylamino)-2-[(dimethylamino)methyl]propan-2-olate);decakis(oxygen(2-));tungsten;tetrahydrate
SMILESCN(C)CC([O-])(CN(C)C)CN(C)C.CN(C)CC([O-])(CN(C)C)CN(C)C.CN(C)CC([O-])(CN(C)C)CN(C)C.CN(C)CC([O-])(CN(C)C)CN(C)C.O.O.O.O.[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[W].[W].[W].[W]
InChIInChI=1S/4C10H24N3O.4H2O.10O.4W/c4*1-11(2)7-10(14,8-12(3)4)9-13(5)6;;;;;;;;;;;;;;;;;;/h4*7-9H2,1-6H3;4*1H2;;;;;;;;;;;;;;/q4*-1;;;;;10*-2;;;;
InChIKeyCDVCEPCLNCIMTC-UHFFFAOYSA-N
MW1776.70 g/mol
LogP-9.42
Rot. Bonds24

About tetrakis(1,3-bis(dimethylamino)-2-[(dimethylamino)methyl]propan-2-olate);decakis(oxygen(2-));tungsten;tetrahydrate

tetrakis(1,3-bis(dimethylamino)-2-[(dimethylamino)methyl]propan-2-olate);decakis(oxygen(2-));tungsten;tetrahydrate (PubChem CID 139158845) has the molecular formula C40H104N12O18W4-24 and a molecular weight of 1776.70 g/mol. Its IUPAC name is tetrakis(1,3-bis(dimethylamino)-2-[(dimethylamino)methyl]propan-2-olate);decakis(oxygen(2-));tungsten;tetrahydrate.

Molecular Properties

Compound Nametetrakis(1,3-bis(dimethylamino)-2-[(dimethylamino)methyl]propan-2-olate);decakis(oxygen(2-));tungsten;tetrahydrate
PubChem CID139158845
Molecular FormulaC40H104N12O18W4-24
Molecular Weight1776.70 g/mol
Exact Mass1776.58
IUPAC Nametetrakis(1,3-bis(dimethylamino)-2-[(dimethylamino)methyl]propan-2-olate);decakis(oxygen(2-));tungsten;tetrahydrate
SMILESCN(C)CC([O-])(CN(C)C)CN(C)C.CN(C)CC([O-])(CN(C)C)CN(C)C.CN(C)CC([O-])(CN(C)C)CN(C)C.CN(C)CC([O-])(CN(C)C)CN(C)C.O.O.O.O.[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[W].[W].[W].[W]
InChIInChI=1S/4C10H24N3O.4H2O.10O.4W/c4*1-11(2)7-10(14,8-12(3)4)9-13(5)6;;;;;;;;;;;;;;;;;;/h4*7-9H2,1-6H3;4*1H2;;;;;;;;;;;;;;/q4*-1;;;;;10*-2;;;;
InChIKeyCDVCEPCLNCIMTC-UHFFFAOYSA-N
XLogP-9.42
TPSA542.12 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds24
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001776.70
LogP ≤ 5-9.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

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Related Compounds

potassium 1-(dimethylamino)-2-methylpropan-2-olate
CID 90331914
tris(1-(dimethylamino)-2-methylpropan-2-olate);lutetium(3+)
CID 121235831
2,2-bis[(dimethylamino)methyl]-N,N,N',N'-tetramethylpropane-1,3-diamine
CID 160709278
2-ethyl-2-fluoro-N,N-dimethylbutan-1-amine
CID 177186880
methane;N,N,2,2-tetramethylpropan-1-amine
CID 160781651
lithium;hydride;N,N,2,2-tetramethylpropan-1-amine
CID 174663551
2-bromo-N,N,2-trimethylpropan-1-amine
CID 138664170
2,2,2-trifluoro-N,N-dimethylethanamine;hydrochloride
CID 87517073
1-(dimethylamino)-2-methylsulfanylpropane-2-thiol
CID 91508508
1-N,1-N,1-N',1-N',2-N,2-N-hexamethyl-1-silylethane-1,1,2-triamine
CID 173059458
2,3,3,3-tetrafluoro-N,N-dimethyl-2-(trifluoromethyl)propan-1-amine
CID 12655947
1-(dimethylamino)-2-methylpropan-2-ol;nickel
CID 158562647

Frequently Asked Questions

What is the IUPAC name of tetrakis(1,3-bis(dimethylamino)-2-[(dimethylamino)methyl]propan-2-olate);decakis(oxygen(2-));tungsten;tetrahydrate?
The IUPAC name of tetrakis(1,3-bis(dimethylamino)-2-[(dimethylamino)methyl]propan-2-olate);decakis(oxygen(2-));tungsten;tetrahydrate (CID 139158845) is tetrakis(1,3-bis(dimethylamino)-2-[(dimethylamino)methyl]propan-2-olate);decakis(oxygen(2-));tungsten;tetrahydrate.
What is the SMILES notation for tetrakis(1,3-bis(dimethylamino)-2-[(dimethylamino)methyl]propan-2-olate);decakis(oxygen(2-));tungsten;tetrahydrate?
The canonical SMILES for tetrakis(1,3-bis(dimethylamino)-2-[(dimethylamino)methyl]propan-2-olate);decakis(oxygen(2-));tungsten;tetrahydrate is CN(C)CC([O-])(CN(C)C)CN(C)C.CN(C)CC([O-])(CN(C)C)CN(C)C.CN(C)CC([O-])(CN(C)C)CN(C)C.CN(C)CC([O-])(CN(C)C)CN(C)C.O.O.O.O.[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[W].[W].[W].[W].
What is the InChIKey of tetrakis(1,3-bis(dimethylamino)-2-[(dimethylamino)methyl]propan-2-olate);decakis(oxygen(2-));tungsten;tetrahydrate?
The InChIKey is CDVCEPCLNCIMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/4C10H24N3O.4H2O.10O.4W/c4*1-11(2)7-10(14,8-12(3)4)9-13(5)6;;;;;;;;;;;;;;;;;;/h4*7-9H2,1-6H3;4*1H2;;;;;;;;;;;;;;/q4*-1;;;;;10*-2;;;;.
What are the key properties of tetrakis(1,3-bis(dimethylamino)-2-[(dimethylamino)methyl]propan-2-olate);decakis(oxygen(2-));tungsten;tetrahydrate?
tetrakis(1,3-bis(dimethylamino)-2-[(dimethylamino)methyl]propan-2-olate);decakis(oxygen(2-));tungsten;tetrahydrate has a molecular weight of 1776.70 g/mol, XLogP of -9.42, 24 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(1,3-bis(dimethylamino)-2-[(dimethylamino)methyl]propan-2-olate);decakis(oxygen(2-));tungsten;tetrahydrate is sourced from PubChem (CID 139158845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).