hydroxymethoxymethoxymethanol;methane

C9H32O4 — CID 160891594

IUPAChydroxymethoxymethoxymethanol;methane
SMILESC.C.C.C.C.C.OCOCOCO
InChIInChI=1S/C3H8O4.6CH4/c4-1-6-3-7-2-5;;;;;;/h4-5H,1-3H2;6*1H4
InChIKeySOINAEJZTLVCIS-UHFFFAOYSA-N
MW204.35 g/mol
LogP2.69
Rot. Bonds4

About hydroxymethoxymethoxymethanol;methane

hydroxymethoxymethoxymethanol;methane (PubChem CID 160891594) has the molecular formula C9H32O4 and a molecular weight of 204.35 g/mol. Its IUPAC name is hydroxymethoxymethoxymethanol;methane.

Molecular Properties

Compound Namehydroxymethoxymethoxymethanol;methane
PubChem CID160891594
Molecular FormulaC9H32O4
Molecular Weight204.35 g/mol
Exact Mass204.23
IUPAC Namehydroxymethoxymethoxymethanol;methane
SMILESC.C.C.C.C.C.OCOCOCO
InChIInChI=1S/C3H8O4.6CH4/c4-1-6-3-7-2-5;;;;;;/h4-5H,1-3H2;6*1H4
InChIKeySOINAEJZTLVCIS-UHFFFAOYSA-N
XLogP2.69
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.35
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

hydroxymethoxymethanol;methane
CID 157392016
azane;hydroxymethoxymethanol
CID 174600745
bis(hydroxymethoxymethoxymethyl) propanedioate
CID 102356043
but-3-enoxymethoxymethanol
CID 101038946
hydroxymethoxymethoxymethyl acetate
CID 23591688
ethanol;ethoxymethoxymethanol;2-ethyloxirane;methane;oxiran-2-ylmethanol
CID 158864373
2-(ethoxymethoxy)ethanol;methane
CID 161049007
bis(hydroxymethyl)phosphanylmethoxymethanol
CID 88940205
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxymethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 123262216
[(E,2S,3R)-5-amino-2,3-dimethylhept-4-enoxy]methoxymethanol
CID 163445727
S-(hydroxymethoxymethoxymethyl) 3-amino-2,2-dimethylpropanethioate
CID 118964742
2-methoxyethoxymethanol
CID 18720532

Frequently Asked Questions

What is the IUPAC name of hydroxymethoxymethoxymethanol;methane?
The IUPAC name of hydroxymethoxymethoxymethanol;methane (CID 160891594) is hydroxymethoxymethoxymethanol;methane.
What is the SMILES notation for hydroxymethoxymethoxymethanol;methane?
The canonical SMILES for hydroxymethoxymethoxymethanol;methane is C.C.C.C.C.C.OCOCOCO.
What is the InChIKey of hydroxymethoxymethoxymethanol;methane?
The InChIKey is SOINAEJZTLVCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O4.6CH4/c4-1-6-3-7-2-5;;;;;;/h4-5H,1-3H2;6*1H4.
What are the key properties of hydroxymethoxymethoxymethanol;methane?
hydroxymethoxymethoxymethanol;methane has a molecular weight of 204.35 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxymethoxymethoxymethanol;methane is sourced from PubChem (CID 160891594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).