methane;tetrakis(prop-2-enoate);tetrakis(tetramethylazanium)

C29H64N4O8 — CID 158693664

IUPACmethane;tetrakis(prop-2-enoate);tetrakis(tetramethylazanium)
SMILESC.C=CC(=O)[O-].C=CC(=O)[O-].C=CC(=O)[O-].C=CC(=O)[O-].C[N+](C)(C)C.C[N+](C)(C)C.C[N+](C)(C)C.C[N+](C)(C)C
InChIInChI=1S/4C4H12N.4C3H4O2.CH4/c4*1-5(2,3)4;4*1-2-3(4)5;/h4*1-4H3;4*2H,1H2,(H,4,5);1H4/q4*+1;;;;;/p-4
InChIKeyIGQXEXIPGOMQEG-UHFFFAOYSA-J
MW596.85 g/mol
LogP-2.39
Rot. Bonds4

About methane;tetrakis(prop-2-enoate);tetrakis(tetramethylazanium)

methane;tetrakis(prop-2-enoate);tetrakis(tetramethylazanium) (PubChem CID 158693664) has the molecular formula C29H64N4O8 and a molecular weight of 596.85 g/mol. Its IUPAC name is methane;tetrakis(prop-2-enoate);tetrakis(tetramethylazanium).

Molecular Properties

Compound Namemethane;tetrakis(prop-2-enoate);tetrakis(tetramethylazanium)
PubChem CID158693664
Molecular FormulaC29H64N4O8
Molecular Weight596.85 g/mol
Exact Mass596.47
IUPAC Namemethane;tetrakis(prop-2-enoate);tetrakis(tetramethylazanium)
SMILESC.C=CC(=O)[O-].C=CC(=O)[O-].C=CC(=O)[O-].C=CC(=O)[O-].C[N+](C)(C)C.C[N+](C)(C)C.C[N+](C)(C)C.C[N+](C)(C)C
InChIInChI=1S/4C4H12N.4C3H4O2.CH4/c4*1-5(2,3)4;4*1-2-3(4)5;/h4*1-4H3;4*2H,1H2,(H,4,5);1H4/q4*+1;;;;;/p-4
InChIKeyIGQXEXIPGOMQEG-UHFFFAOYSA-J
XLogP-2.39
TPSA160.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500596.85
LogP ≤ 5-2.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

prop-2-enoate;bis(tetramethylazanium);nitrate
CID 139744908
europium(2+);bis(prop-2-enoate)
CID 19816716
prop-2-enoate;tin(4+)
CID 22321076
cobalt(2+);prop-2-enoate
CID 22476955
barium(2+);lead(2+);tetrakis(prop-2-enoate)
CID 159431498
aluminum;bis(prop-2-enoate);chloride
CID 175698276
lithium;cobalt(2+);hydride;bis(prop-2-enoate)
CID 173125641
prop-2-enoate;bis(trimethyl(propyl)azanium);chloride
CID 161434994
sodium;methyl prop-2-enoate;prop-2-enoate
CID 174422946
potassium;(Z)-but-2-enedioate;tetramethylazanium
CID 87375053
prop-2-enoate sulfate
CID 18971000
lithium;prop-2-enoate;prop-2-enoic acid
CID 90256429

Frequently Asked Questions

What is the IUPAC name of methane;tetrakis(prop-2-enoate);tetrakis(tetramethylazanium)?
The IUPAC name of methane;tetrakis(prop-2-enoate);tetrakis(tetramethylazanium) (CID 158693664) is methane;tetrakis(prop-2-enoate);tetrakis(tetramethylazanium).
What is the SMILES notation for methane;tetrakis(prop-2-enoate);tetrakis(tetramethylazanium)?
The canonical SMILES for methane;tetrakis(prop-2-enoate);tetrakis(tetramethylazanium) is C.C=CC(=O)[O-].C=CC(=O)[O-].C=CC(=O)[O-].C=CC(=O)[O-].C[N+](C)(C)C.C[N+](C)(C)C.C[N+](C)(C)C.C[N+](C)(C)C.
What is the InChIKey of methane;tetrakis(prop-2-enoate);tetrakis(tetramethylazanium)?
The InChIKey is IGQXEXIPGOMQEG-UHFFFAOYSA-J. The full InChI is InChI=1S/4C4H12N.4C3H4O2.CH4/c4*1-5(2,3)4;4*1-2-3(4)5;/h4*1-4H3;4*2H,1H2,(H,4,5);1H4/q4*+1;;;;;/p-4.
What are the key properties of methane;tetrakis(prop-2-enoate);tetrakis(tetramethylazanium)?
methane;tetrakis(prop-2-enoate);tetrakis(tetramethylazanium) has a molecular weight of 596.85 g/mol, XLogP of -2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methane;tetrakis(prop-2-enoate);tetrakis(tetramethylazanium) is sourced from PubChem (CID 158693664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).