carbanide;formaldehyde;methane;methanol;propan-2-ol;hydrate

C8H26O4-2 — CID 159793632

IUPACcarbanide;formaldehyde;methane;methanol;propan-2-ol;hydrate
SMILESC.C=O.CC(C)O.CO.O.[CH3-].[CH3-]
InChIInChI=1S/C3H8O.CH4O.CH2O.CH4.2CH3.H2O/c1-3(2)4;2*1-2;;;;/h3-4H,1-2H3;2H,1H3;1H2;1H4;2*1H3;1H2/q;;;;2*-1;
InChIKeyOBQPPPWYSWSARS-UHFFFAOYSA-N
MW186.29 g/mol
LogP0.52
Rot. Bonds

About carbanide;formaldehyde;methane;methanol;propan-2-ol;hydrate

carbanide;formaldehyde;methane;methanol;propan-2-ol;hydrate (PubChem CID 159793632) has the molecular formula C8H26O4-2 and a molecular weight of 186.29 g/mol. Its IUPAC name is carbanide;formaldehyde;methane;methanol;propan-2-ol;hydrate.

Molecular Properties

Compound Namecarbanide;formaldehyde;methane;methanol;propan-2-ol;hydrate
PubChem CID159793632
Molecular FormulaC8H26O4-2
Molecular Weight186.29 g/mol
Exact Mass186.18
IUPAC Namecarbanide;formaldehyde;methane;methanol;propan-2-ol;hydrate
SMILESC.C=O.CC(C)O.CO.O.[CH3-].[CH3-]
InChIInChI=1S/C3H8O.CH4O.CH2O.CH4.2CH3.H2O/c1-3(2)4;2*1-2;;;;/h3-4H,1-2H3;2H,1H3;1H2;1H4;2*1H3;1H2/q;;;;2*-1;
InChIKeyOBQPPPWYSWSARS-UHFFFAOYSA-N
XLogP0.52
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbanide;formaldehyde;methane;methanol;propan-2-ol;hydrate?
The IUPAC name of carbanide;formaldehyde;methane;methanol;propan-2-ol;hydrate (CID 159793632) is carbanide;formaldehyde;methane;methanol;propan-2-ol;hydrate.
What is the SMILES notation for carbanide;formaldehyde;methane;methanol;propan-2-ol;hydrate?
The canonical SMILES for carbanide;formaldehyde;methane;methanol;propan-2-ol;hydrate is C.C=O.CC(C)O.CO.O.[CH3-].[CH3-].
What is the InChIKey of carbanide;formaldehyde;methane;methanol;propan-2-ol;hydrate?
The InChIKey is OBQPPPWYSWSARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O.CH4O.CH2O.CH4.2CH3.H2O/c1-3(2)4;2*1-2;;;;/h3-4H,1-2H3;2H,1H3;1H2;1H4;2*1H3;1H2/q;;;;2*-1;.
What are the key properties of carbanide;formaldehyde;methane;methanol;propan-2-ol;hydrate?
carbanide;formaldehyde;methane;methanol;propan-2-ol;hydrate has a molecular weight of 186.29 g/mol, XLogP of 0.52, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;formaldehyde;methane;methanol;propan-2-ol;hydrate is sourced from PubChem (CID 159793632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).