ethane;ethanol;ethene;formaldehyde;hydroperoxymethane;methane;propane;uranium

C49H152O16U6-4 — CID 158117673

IUPACethane;ethanol;ethene;formaldehyde;hydroperoxymethane;methane;propane;uranium
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C=C.C=C.C=C.C=C.C=O.C=O.C=O.C=O.CCO.CCO.CCO.CCO.COO.COO.COO.COO.[CH2-]C.[CH2-]C.[CH2-]C[CH2-].[U].[U].[U].[U].[U].[U]
InChIInChI=1S/C3H6.4C2H6O.2C2H5.4C2H4.4CH4O2.4CH2O.18CH4.6U/c1-3-2;4*1-2-3;6*1-2;4*1-3-2;4*1-2;;;;;;;;;;;;;;;;;;;;;;;;/h1-3H2;4*3H,2H2,1H3;2*1H2,2H3;4*1-2H2;4*2H,1H3;4*1H2;18*1H4;;;;;;/q-2;;;;;2*-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyIIDCNIMUKVPATN-UHFFFAOYSA-N
MW2425.91 g/mol
LogP17.06
Rot. Bonds

About ethane;ethanol;ethene;formaldehyde;hydroperoxymethane;methane;propane;uranium

ethane;ethanol;ethene;formaldehyde;hydroperoxymethane;methane;propane;uranium (PubChem CID 158117673) has the molecular formula C49H152O16U6-4 and a molecular weight of 2425.91 g/mol. Its IUPAC name is ethane;ethanol;ethene;formaldehyde;hydroperoxymethane;methane;propane;uranium.

Molecular Properties

Compound Nameethane;ethanol;ethene;formaldehyde;hydroperoxymethane;methane;propane;uranium
PubChem CID158117673
Molecular FormulaC49H152O16U6-4
Molecular Weight2425.91 g/mol
Exact Mass2425.41
IUPAC Nameethane;ethanol;ethene;formaldehyde;hydroperoxymethane;methane;propane;uranium
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C=C.C=C.C=C.C=C.C=O.C=O.C=O.C=O.CCO.CCO.CCO.CCO.COO.COO.COO.COO.[CH2-]C.[CH2-]C.[CH2-]C[CH2-].[U].[U].[U].[U].[U].[U]
InChIInChI=1S/C3H6.4C2H6O.2C2H5.4C2H4.4CH4O2.4CH2O.18CH4.6U/c1-3-2;4*1-2-3;6*1-2;4*1-3-2;4*1-2;;;;;;;;;;;;;;;;;;;;;;;;/h1-3H2;4*3H,2H2,1H3;2*1H2,2H3;4*1-2H2;4*2H,1H3;4*1H2;18*1H4;;;;;;/q-2;;;;;2*-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyIIDCNIMUKVPATN-UHFFFAOYSA-N
XLogP17.06
TPSA267.04 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds
Heavy Atoms71
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002425.91
LogP ≤ 517.06
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

butane;hydroperoxymethane
CID 142008875
ethane;ethanol;zirconium(2+)
CID 23068931
ethane;ethanol;titanium(3+)
CID 139843114
ethanol;ruthenium
CID 150841781
ethanol;ruthenium
CID 157358792
carbanide;ethene;hydroperoxymethane;bis(2-hydroxyethyl hypofluorite);methane;uranium
CID 158476719
ethanol;methane;methoxyethane
CID 157365147
azane;ethane;ethanol;formaldehyde;propane
CID 159875999
ethanol;ethene;ethoxyethane
CID 139434375
butane;formaldehyde
CID 19870810
ethanol;methanol;ruthenium
CID 151122809
CID 159366732
CID 159366732

Frequently Asked Questions

What is the IUPAC name of ethane;ethanol;ethene;formaldehyde;hydroperoxymethane;methane;propane;uranium?
The IUPAC name of ethane;ethanol;ethene;formaldehyde;hydroperoxymethane;methane;propane;uranium (CID 158117673) is ethane;ethanol;ethene;formaldehyde;hydroperoxymethane;methane;propane;uranium.
What is the SMILES notation for ethane;ethanol;ethene;formaldehyde;hydroperoxymethane;methane;propane;uranium?
The canonical SMILES for ethane;ethanol;ethene;formaldehyde;hydroperoxymethane;methane;propane;uranium is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C=C.C=C.C=C.C=C.C=O.C=O.C=O.C=O.CCO.CCO.CCO.CCO.COO.COO.COO.COO.[CH2-]C.[CH2-]C.[CH2-]C[CH2-].[U].[U].[U].[U].[U].[U].
What is the InChIKey of ethane;ethanol;ethene;formaldehyde;hydroperoxymethane;methane;propane;uranium?
The InChIKey is IIDCNIMUKVPATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6.4C2H6O.2C2H5.4C2H4.4CH4O2.4CH2O.18CH4.6U/c1-3-2;4*1-2-3;6*1-2;4*1-3-2;4*1-2;;;;;;;;;;;;;;;;;;;;;;;;/h1-3H2;4*3H,2H2,1H3;2*1H2,2H3;4*1-2H2;4*2H,1H3;4*1H2;18*1H4;;;;;;/q-2;;;;;2*-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;.
What are the key properties of ethane;ethanol;ethene;formaldehyde;hydroperoxymethane;methane;propane;uranium?
ethane;ethanol;ethene;formaldehyde;hydroperoxymethane;methane;propane;uranium has a molecular weight of 2425.91 g/mol, XLogP of 17.06, 0 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethanol;ethene;formaldehyde;hydroperoxymethane;methane;propane;uranium is sourced from PubChem (CID 158117673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).