2-[2-[2-(hydroxymethyl)-2-methylbutoxy]ethoxymethyl]-2-methylbutan-1-ol;methane

C20H54O4 — CID 158118632

IUPAC2-[2-[2-(hydroxymethyl)-2-methylbutoxy]ethoxymethyl]-2-methylbutan-1-ol;methane
SMILESC.C.C.C.C.C.CCC(C)(CO)COCCOCC(C)(CC)CO
InChIInChI=1S/C14H30O4.6CH4/c1-5-13(3,9-15)11-17-7-8-18-12-14(4,6-2)10-16;;;;;;/h15-16H,5-12H2,1-4H3;6*1H4
InChIKeyFRIGZJUVAGYTBA-UHFFFAOYSA-N
MW358.65 g/mol
LogP5.65
Rot. Bonds11

About 2-[2-[2-(hydroxymethyl)-2-methylbutoxy]ethoxymethyl]-2-methylbutan-1-ol;methane

2-[2-[2-(hydroxymethyl)-2-methylbutoxy]ethoxymethyl]-2-methylbutan-1-ol;methane (PubChem CID 158118632) has the molecular formula C20H54O4 and a molecular weight of 358.65 g/mol. Its IUPAC name is 2-[2-[2-(hydroxymethyl)-2-methylbutoxy]ethoxymethyl]-2-methylbutan-1-ol;methane.

Molecular Properties

Compound Name2-[2-[2-(hydroxymethyl)-2-methylbutoxy]ethoxymethyl]-2-methylbutan-1-ol;methane
PubChem CID158118632
Molecular FormulaC20H54O4
Molecular Weight358.65 g/mol
Exact Mass358.40
IUPAC Name2-[2-[2-(hydroxymethyl)-2-methylbutoxy]ethoxymethyl]-2-methylbutan-1-ol;methane
SMILESC.C.C.C.C.C.CCC(C)(CO)COCCOCC(C)(CC)CO
InChIInChI=1S/C14H30O4.6CH4/c1-5-13(3,9-15)11-17-7-8-18-12-14(4,6-2)10-16;;;;;;/h15-16H,5-12H2,1-4H3;6*1H4
InChIKeyFRIGZJUVAGYTBA-UHFFFAOYSA-N
XLogP5.65
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.65
LogP ≤ 55.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-(hydroxymethyl)-3-methanidyloxy-2-methylpropoxy]ethoxymethyl]-3-methanidyloxy-2-methylpropan-1-ol;methane;bis(rutherfordium)
CID 161265782
2-[[3-[2-(hydroxymethyl)-2-methyl-3-(2,2,3,3,3-pentafluoropropoxy)propoxy]-2,2-dimethylpropoxy]methyl]-2-methylbutan-1-ol;methane
CID 161341335
2-ethyl-5-(2-methoxyethoxy)-2-methylpentan-1-ol
CID 103415225
2-(ethoxymethyl)-2-ethylpropane-1,3-diol;2-(ethoxymethyl)-2-methylpropane-1,3-diol;methane
CID 160847365
2,4-dimethyl-2-(propoxymethyl)pentan-1-ol
CID 91196537
2-[[2,2-dimethyl-3-[2-methyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)butoxy]propoxy]methyl]-2-methyl-3-(2,2,3,3,3-pentafluoropropoxy)propan-1-ol;methane
CID 162234172
2-[[2-(2-methoxyethoxy)ethylamino]methyl]-2-methylbutan-1-ol
CID 81418619
5-ethoxy-2-ethyl-2-methylpentan-1-ol
CID 66059379
ethoxyethane;2-(hydroxymethyl)-2-methylpropane-1,3-diol
CID 21464807
3-[3-(3-hydroxypropoxy)-2-(3-hydroxypropoxymethyl)-2-methylpropoxy]propan-1-ol
CID 10517899
2-[2-(2-methoxyethoxy)ethyl]-2-methylpentan-1-ol
CID 66025453
2-[(2-methoxyethoxyamino)methyl]-2-methylbutan-1-ol
CID 82711613

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(hydroxymethyl)-2-methylbutoxy]ethoxymethyl]-2-methylbutan-1-ol;methane?
The IUPAC name of 2-[2-[2-(hydroxymethyl)-2-methylbutoxy]ethoxymethyl]-2-methylbutan-1-ol;methane (CID 158118632) is 2-[2-[2-(hydroxymethyl)-2-methylbutoxy]ethoxymethyl]-2-methylbutan-1-ol;methane.
What is the SMILES notation for 2-[2-[2-(hydroxymethyl)-2-methylbutoxy]ethoxymethyl]-2-methylbutan-1-ol;methane?
The canonical SMILES for 2-[2-[2-(hydroxymethyl)-2-methylbutoxy]ethoxymethyl]-2-methylbutan-1-ol;methane is C.C.C.C.C.C.CCC(C)(CO)COCCOCC(C)(CC)CO.
What is the InChIKey of 2-[2-[2-(hydroxymethyl)-2-methylbutoxy]ethoxymethyl]-2-methylbutan-1-ol;methane?
The InChIKey is FRIGZJUVAGYTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O4.6CH4/c1-5-13(3,9-15)11-17-7-8-18-12-14(4,6-2)10-16;;;;;;/h15-16H,5-12H2,1-4H3;6*1H4.
What are the key properties of 2-[2-[2-(hydroxymethyl)-2-methylbutoxy]ethoxymethyl]-2-methylbutan-1-ol;methane?
2-[2-[2-(hydroxymethyl)-2-methylbutoxy]ethoxymethyl]-2-methylbutan-1-ol;methane has a molecular weight of 358.65 g/mol, XLogP of 5.65, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(hydroxymethyl)-2-methylbutoxy]ethoxymethyl]-2-methylbutan-1-ol;methane is sourced from PubChem (CID 158118632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).