1-ethoxypropan-2-ol;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol

C14H32O6 — CID 161457243

IUPAC1-ethoxypropan-2-ol;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol
SMILESCC(O)COC(C)COC(C)CO.CCOCC(C)O
InChIInChI=1S/C9H20O4.C5H12O2/c1-7(11)5-12-9(3)6-13-8(2)4-10;1-3-7-4-5(2)6/h7-11H,4-6H2,1-3H3;5-6H,3-4H2,1-2H3
InChIKeyWBHXWKSETVHKJV-UHFFFAOYSA-N
MW296.40 g/mol
LogP0.57
Rot. Bonds10

About 1-ethoxypropan-2-ol;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol

1-ethoxypropan-2-ol;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol (PubChem CID 161457243) has the molecular formula C14H32O6 and a molecular weight of 296.40 g/mol. Its IUPAC name is 1-ethoxypropan-2-ol;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol.

Molecular Properties

Compound Name1-ethoxypropan-2-ol;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol
PubChem CID161457243
Molecular FormulaC14H32O6
Molecular Weight296.40 g/mol
Exact Mass296.22
IUPAC Name1-ethoxypropan-2-ol;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol
SMILESCC(O)COC(C)COC(C)CO.CCOCC(C)O
InChIInChI=1S/C9H20O4.C5H12O2/c1-7(11)5-12-9(3)6-13-8(2)4-10;1-3-7-4-5(2)6/h7-11H,4-6H2,1-3H3;5-6H,3-4H2,1-2H3
InChIKeyWBHXWKSETVHKJV-UHFFFAOYSA-N
XLogP0.57
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethoxy-2-(2-ethoxypropoxy)propane;2-(2-hydroxypropoxy)propan-1-ol
CID 157472623
2-[(2S)-2-(2-hydroxypropoxy)propoxy]propan-1-ol
CID 57250995
(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[(2R)-2-hydroxypropoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 135398128
(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[(2R)-2-hydroxypropoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 52944184
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-[2-[2-[2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 129258007
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 22051694
2-ethoxypropane;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol
CID 134346005
ethoxyethane;ethyl acetate;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol
CID 87173315
boric acid;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol
CID 175051763
2-(2-hydroxypropoxy)propan-1-ol;methoxyethane
CID 87090145
2-butan-2-yloxybutane;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol
CID 87745303
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]ethanol;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol
CID 22918050

Frequently Asked Questions

What is the IUPAC name of 1-ethoxypropan-2-ol;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol?
The IUPAC name of 1-ethoxypropan-2-ol;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol (CID 161457243) is 1-ethoxypropan-2-ol;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol.
What is the SMILES notation for 1-ethoxypropan-2-ol;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol?
The canonical SMILES for 1-ethoxypropan-2-ol;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol is CC(O)COC(C)COC(C)CO.CCOCC(C)O.
What is the InChIKey of 1-ethoxypropan-2-ol;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol?
The InChIKey is WBHXWKSETVHKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O4.C5H12O2/c1-7(11)5-12-9(3)6-13-8(2)4-10;1-3-7-4-5(2)6/h7-11H,4-6H2,1-3H3;5-6H,3-4H2,1-2H3.
What are the key properties of 1-ethoxypropan-2-ol;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol?
1-ethoxypropan-2-ol;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol has a molecular weight of 296.40 g/mol, XLogP of 0.57, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxypropan-2-ol;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol is sourced from PubChem (CID 161457243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).