1-[2-(2-hydroxypropoxy)ethoxy]-2-methylpropan-2-ol

C9H20O4 — CID 123505262

IUPAC1-[2-(2-hydroxypropoxy)ethoxy]-2-methylpropan-2-ol
SMILESCC(O)COCCOCC(C)(C)O
InChIInChI=1S/C9H20O4/c1-8(10)6-12-4-5-13-7-9(2,3)11/h8,10-11H,4-7H2,1-3H3
InChIKeyAFKCSKLWQKVGOW-UHFFFAOYSA-N
MW192.25 g/mol
LogP0.17
Rot. Bonds7

About 1-[2-(2-hydroxypropoxy)ethoxy]-2-methylpropan-2-ol

1-[2-(2-hydroxypropoxy)ethoxy]-2-methylpropan-2-ol (PubChem CID 123505262) has the molecular formula C9H20O4 and a molecular weight of 192.25 g/mol. Its IUPAC name is 1-[2-(2-hydroxypropoxy)ethoxy]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[2-(2-hydroxypropoxy)ethoxy]-2-methylpropan-2-ol
PubChem CID123505262
Molecular FormulaC9H20O4
Molecular Weight192.25 g/mol
Exact Mass192.14
IUPAC Name1-[2-(2-hydroxypropoxy)ethoxy]-2-methylpropan-2-ol
SMILESCC(O)COCCOCC(C)(C)O
InChIInChI=1S/C9H20O4/c1-8(10)6-12-4-5-13-7-9(2,3)11/h8,10-11H,4-7H2,1-3H3
InChIKeyAFKCSKLWQKVGOW-UHFFFAOYSA-N
XLogP0.17
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 50.17
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

1-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propan-2-ol
CID 86587580
2-(2-hydroxyethoxy)ethanol;1-[2-(2-hydroxyethoxy)ethoxy]propan-2-ol
CID 161004910
1-(3,3-dimethylbutoxy)propan-2-ol
CID 66225611
1-(2-ethoxyethoxy)-2-methylpropan-2-ol
CID 20617821
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpropan-2-ol
CID 176872926
2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-ol
CID 123858699
(2S)-1-[2-(3-methoxypropoxy)ethoxy]propan-2-ol
CID 103179631
(2S)-1-[(2S)-2-hydroxypropoxy]propan-2-ol
CID 6950271
1-(2-hydroxyethoxy)propan-2-ol
CID 19360868
3-(2-hydroxypropoxy)propane-1,1-diol
CID 88599165
lanthanum;tris(2-methyl-1-propoxypropan-2-ol)
CID 87836481
1-[2-[4-[2-(2-hydroxypropoxy)propoxy]butoxy]ethoxy]propan-2-ol
CID 163521633

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxypropoxy)ethoxy]-2-methylpropan-2-ol?
The IUPAC name of 1-[2-(2-hydroxypropoxy)ethoxy]-2-methylpropan-2-ol (CID 123505262) is 1-[2-(2-hydroxypropoxy)ethoxy]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[2-(2-hydroxypropoxy)ethoxy]-2-methylpropan-2-ol?
The canonical SMILES for 1-[2-(2-hydroxypropoxy)ethoxy]-2-methylpropan-2-ol is CC(O)COCCOCC(C)(C)O.
What is the InChIKey of 1-[2-(2-hydroxypropoxy)ethoxy]-2-methylpropan-2-ol?
The InChIKey is AFKCSKLWQKVGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O4/c1-8(10)6-12-4-5-13-7-9(2,3)11/h8,10-11H,4-7H2,1-3H3.
What are the key properties of 1-[2-(2-hydroxypropoxy)ethoxy]-2-methylpropan-2-ol?
1-[2-(2-hydroxypropoxy)ethoxy]-2-methylpropan-2-ol has a molecular weight of 192.25 g/mol, XLogP of 0.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxypropoxy)ethoxy]-2-methylpropan-2-ol is sourced from PubChem (CID 123505262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).