ethane;2-methanidylpropyl 2-methylprop-2-enoate;tungsten(2+)

C10H18O2W — CID 20605307

IUPACethane;2-methanidylpropyl 2-methylprop-2-enoate;tungsten(2+)
SMILESC=C(C)C(=O)OCC([CH2-])C.[CH2-]C.[W+2]
InChIInChI=1S/C8H13O2.C2H5.W/c1-6(2)5-10-8(9)7(3)4;1-2;/h6H,1,3,5H2,2,4H3;1H2,2H3;/q2*-1;+2
InChIKeyBBEOAGCJHISURX-UHFFFAOYSA-N
MW354.09 g/mol
LogP2.41
Rot. Bonds3

About ethane;2-methanidylpropyl 2-methylprop-2-enoate;tungsten(2+)

ethane;2-methanidylpropyl 2-methylprop-2-enoate;tungsten(2+) (PubChem CID 20605307) has the molecular formula C10H18O2W and a molecular weight of 354.09 g/mol. Its IUPAC name is ethane;2-methanidylpropyl 2-methylprop-2-enoate;tungsten(2+).

Molecular Properties

Compound Nameethane;2-methanidylpropyl 2-methylprop-2-enoate;tungsten(2+)
PubChem CID20605307
Molecular FormulaC10H18O2W
Molecular Weight354.09 g/mol
Exact Mass354.08
IUPAC Nameethane;2-methanidylpropyl 2-methylprop-2-enoate;tungsten(2+)
SMILESC=C(C)C(=O)OCC([CH2-])C.[CH2-]C.[W+2]
InChIInChI=1S/C8H13O2.C2H5.W/c1-6(2)5-10-8(9)7(3)4;1-2;/h6H,1,3,5H2,2,4H3;1H2,2H3;/q2*-1;+2
InChIKeyBBEOAGCJHISURX-UHFFFAOYSA-N
XLogP2.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.09
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2,3-dimethylbutyl 2-methylprop-2-enoate
CID 18361655
2,3-dihydroxybutyl 2-methylprop-2-enoate
CID 22149440
2-hydroxypropyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid
CID 87196210
[3-hydroxy-2-methyl-4-(2-methylprop-2-enoyloxy)butyl] 2-methylprop-2-enoate
CID 19428941
ethane;(3-hydroxy-2-methylpropyl) 2-methylprop-2-enoate
CID 171797944
butane;iron(4+);2-methanidylbutyl 2-methylprop-2-enoate
CID 59117787
[3-methoxy-2-(methoxymethyl)propyl] 2-methylprop-2-enoate
CID 58701380
triethyl(2-methylprop-2-enoyloxymethyl)phosphanium
CID 18683050
ethyl 2-methylprop-2-enoate
CID 130475774
2,3-dihydroxypropyl 2-methylprop-2-enoate;propane
CID 87556862
zinc bis(2-methyl-3-(2-methylprop-2-enoyloxy)propanoate)
CID 160963047
(4-amino-2-hydroxy-4-oxobutyl) 2-methylprop-2-enoate
CID 87605994

Frequently Asked Questions

What is the IUPAC name of ethane;2-methanidylpropyl 2-methylprop-2-enoate;tungsten(2+)?
The IUPAC name of ethane;2-methanidylpropyl 2-methylprop-2-enoate;tungsten(2+) (CID 20605307) is ethane;2-methanidylpropyl 2-methylprop-2-enoate;tungsten(2+).
What is the SMILES notation for ethane;2-methanidylpropyl 2-methylprop-2-enoate;tungsten(2+)?
The canonical SMILES for ethane;2-methanidylpropyl 2-methylprop-2-enoate;tungsten(2+) is C=C(C)C(=O)OCC([CH2-])C.[CH2-]C.[W+2].
What is the InChIKey of ethane;2-methanidylpropyl 2-methylprop-2-enoate;tungsten(2+)?
The InChIKey is BBEOAGCJHISURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13O2.C2H5.W/c1-6(2)5-10-8(9)7(3)4;1-2;/h6H,1,3,5H2,2,4H3;1H2,2H3;/q2*-1;+2.
What are the key properties of ethane;2-methanidylpropyl 2-methylprop-2-enoate;tungsten(2+)?
ethane;2-methanidylpropyl 2-methylprop-2-enoate;tungsten(2+) has a molecular weight of 354.09 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methanidylpropyl 2-methylprop-2-enoate;tungsten(2+) is sourced from PubChem (CID 20605307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).