hydroxymethoxymethanol;methane

C4H14O3 — CID 157392016

IUPAChydroxymethoxymethanol;methane
SMILESC.C.OCOCO
InChIInChI=1S/C2H6O3.2CH4/c3-1-5-2-4;;/h3-4H,1-2H2;2*1H4
InChIKeyBMCRSWYSFQFUEW-UHFFFAOYSA-N
MW110.15 g/mol
LogP0.17
Rot. Bonds2

About hydroxymethoxymethanol;methane

hydroxymethoxymethanol;methane (PubChem CID 157392016) has the molecular formula C4H14O3 and a molecular weight of 110.15 g/mol. Its IUPAC name is hydroxymethoxymethanol;methane.

Molecular Properties

Compound Namehydroxymethoxymethanol;methane
PubChem CID157392016
Molecular FormulaC4H14O3
Molecular Weight110.15 g/mol
Exact Mass110.09
IUPAC Namehydroxymethoxymethanol;methane
SMILESC.C.OCOCO
InChIInChI=1S/C2H6O3.2CH4/c3-1-5-2-4;;/h3-4H,1-2H2;2*1H4
InChIKeyBMCRSWYSFQFUEW-UHFFFAOYSA-N
XLogP0.17
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.15
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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CID 174600745
hydroxymethoxymethoxymethanol;methane
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hydroxymethoxymethanol;propane-1,2-diol
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2-methoxyethoxymethanol
CID 18720532
bis(hydroxymethyl)phosphanylmethoxymethanol
CID 88940205
2,2-dichloroethoxymethanol
CID 71367680
1-(hydroxymethoxy)but-3-en-2-one;methane
CID 159002553
hydroxymethylperoxymethanol
CID 28258
2-[2-(silylmethoxy)ethoxy]ethoxymethanol
CID 174055614
5-(hydroxymethoxy)pentan-1-ol
CID 54230707
ethanol;methane;methoxyethane
CID 157365147
chloromethoxymethanol;sulfanylmethoxymethanol
CID 157258379

Frequently Asked Questions

What is the IUPAC name of hydroxymethoxymethanol;methane?
The IUPAC name of hydroxymethoxymethanol;methane (CID 157392016) is hydroxymethoxymethanol;methane.
What is the SMILES notation for hydroxymethoxymethanol;methane?
The canonical SMILES for hydroxymethoxymethanol;methane is C.C.OCOCO.
What is the InChIKey of hydroxymethoxymethanol;methane?
The InChIKey is BMCRSWYSFQFUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O3.2CH4/c3-1-5-2-4;;/h3-4H,1-2H2;2*1H4.
What are the key properties of hydroxymethoxymethanol;methane?
hydroxymethoxymethanol;methane has a molecular weight of 110.15 g/mol, XLogP of 0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxymethoxymethanol;methane is sourced from PubChem (CID 157392016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).