4-[2-[1-[4-(2-hydroxyethoxy)-2-methylbutan-2-yl]oxyethoxy]ethoxy]-2-methylbutan-2-ol

C16H34O6 — CID 155214936

IUPAC4-[2-[1-[4-(2-hydroxyethoxy)-2-methylbutan-2-yl]oxyethoxy]ethoxy]-2-methylbutan-2-ol
SMILESCC(OCCOCCC(C)(C)O)OC(C)(C)CCOCCO
InChIInChI=1S/C16H34O6/c1-14(21-13-12-20-9-6-15(2,3)18)22-16(4,5)7-10-19-11-8-17/h14,17-18H,6-13H2,1-5H3
InChIKeyGKMYJFCJCWERAX-UHFFFAOYSA-N
MW322.44 g/mol
LogP1.72
Rot. Bonds14

About 4-[2-[1-[4-(2-hydroxyethoxy)-2-methylbutan-2-yl]oxyethoxy]ethoxy]-2-methylbutan-2-ol

4-[2-[1-[4-(2-hydroxyethoxy)-2-methylbutan-2-yl]oxyethoxy]ethoxy]-2-methylbutan-2-ol (PubChem CID 155214936) has the molecular formula C16H34O6 and a molecular weight of 322.44 g/mol. Its IUPAC name is 4-[2-[1-[4-(2-hydroxyethoxy)-2-methylbutan-2-yl]oxyethoxy]ethoxy]-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-[2-[1-[4-(2-hydroxyethoxy)-2-methylbutan-2-yl]oxyethoxy]ethoxy]-2-methylbutan-2-ol
PubChem CID155214936
Molecular FormulaC16H34O6
Molecular Weight322.44 g/mol
Exact Mass322.24
IUPAC Name4-[2-[1-[4-(2-hydroxyethoxy)-2-methylbutan-2-yl]oxyethoxy]ethoxy]-2-methylbutan-2-ol
SMILESCC(OCCOCCC(C)(C)O)OC(C)(C)CCOCCO
InChIInChI=1S/C16H34O6/c1-14(21-13-12-20-9-6-15(2,3)18)22-16(4,5)7-10-19-11-8-17/h14,17-18H,6-13H2,1-5H3
InChIKeyGKMYJFCJCWERAX-UHFFFAOYSA-N
XLogP1.72
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.44
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

3-(1-methoxyethoxy)-1-(2-methoxyethoxy)-3-methylbutane
CID 150421823
2-[2-[2-[2-[2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 19893141
1-[2-(2-hydroxyethoxy)ethoxy]-3-methoxy-2-methylbutan-2-ol
CID 174782755
2-[2-(1-iodoethoxy)ethoxy]ethanol
CID 87184829
2-[2-[2-[2-(3-methylbutan-2-yloxy)ethoxy]ethoxy]ethoxy]ethanol
CID 139963056
2-[2-(3-methylbutan-2-yloxy)ethoxy]ethanol
CID 87592876
2-methyl-2-(methylamino)-4-(2-propan-2-yloxyethoxy)butan-1-ol
CID 64803423
2-methyl-4-[1-(methylamino)ethoxy]butan-2-ol
CID 153090500
ethane;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol
CID 159638520
2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 17472
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619695
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619703

Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-[4-(2-hydroxyethoxy)-2-methylbutan-2-yl]oxyethoxy]ethoxy]-2-methylbutan-2-ol?
The IUPAC name of 4-[2-[1-[4-(2-hydroxyethoxy)-2-methylbutan-2-yl]oxyethoxy]ethoxy]-2-methylbutan-2-ol (CID 155214936) is 4-[2-[1-[4-(2-hydroxyethoxy)-2-methylbutan-2-yl]oxyethoxy]ethoxy]-2-methylbutan-2-ol.
What is the SMILES notation for 4-[2-[1-[4-(2-hydroxyethoxy)-2-methylbutan-2-yl]oxyethoxy]ethoxy]-2-methylbutan-2-ol?
The canonical SMILES for 4-[2-[1-[4-(2-hydroxyethoxy)-2-methylbutan-2-yl]oxyethoxy]ethoxy]-2-methylbutan-2-ol is CC(OCCOCCC(C)(C)O)OC(C)(C)CCOCCO.
What is the InChIKey of 4-[2-[1-[4-(2-hydroxyethoxy)-2-methylbutan-2-yl]oxyethoxy]ethoxy]-2-methylbutan-2-ol?
The InChIKey is GKMYJFCJCWERAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O6/c1-14(21-13-12-20-9-6-15(2,3)18)22-16(4,5)7-10-19-11-8-17/h14,17-18H,6-13H2,1-5H3.
What are the key properties of 4-[2-[1-[4-(2-hydroxyethoxy)-2-methylbutan-2-yl]oxyethoxy]ethoxy]-2-methylbutan-2-ol?
4-[2-[1-[4-(2-hydroxyethoxy)-2-methylbutan-2-yl]oxyethoxy]ethoxy]-2-methylbutan-2-ol has a molecular weight of 322.44 g/mol, XLogP of 1.72, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-[4-(2-hydroxyethoxy)-2-methylbutan-2-yl]oxyethoxy]ethoxy]-2-methylbutan-2-ol is sourced from PubChem (CID 155214936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).