1-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propoxy]butan-2-ol

C11H24O4 — CID 134453133

IUPAC1-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propoxy]butan-2-ol
SMILESCCC(O)COCC(O)COC(C)(C)C
InChIInChI=1S/C11H24O4/c1-5-9(12)6-14-7-10(13)8-15-11(2,3)4/h9-10,12-13H,5-8H2,1-4H3
InChIKeyHIFPMEZPNZBDIX-UHFFFAOYSA-N
MW220.31 g/mol
LogP0.95
Rot. Bonds7

About 1-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propoxy]butan-2-ol

1-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propoxy]butan-2-ol (PubChem CID 134453133) has the molecular formula C11H24O4 and a molecular weight of 220.31 g/mol. Its IUPAC name is 1-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propoxy]butan-2-ol.

Molecular Properties

Compound Name1-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propoxy]butan-2-ol
PubChem CID134453133
Molecular FormulaC11H24O4
Molecular Weight220.31 g/mol
Exact Mass220.17
IUPAC Name1-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propoxy]butan-2-ol
SMILESCCC(O)COCC(O)COC(C)(C)C
InChIInChI=1S/C11H24O4/c1-5-9(12)6-14-7-10(13)8-15-11(2,3)4/h9-10,12-13H,5-8H2,1-4H3
InChIKeyHIFPMEZPNZBDIX-UHFFFAOYSA-N
XLogP0.95
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propoxy]butan-2-ol?
The IUPAC name of 1-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propoxy]butan-2-ol (CID 134453133) is 1-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propoxy]butan-2-ol.
What is the SMILES notation for 1-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propoxy]butan-2-ol?
The canonical SMILES for 1-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propoxy]butan-2-ol is CCC(O)COCC(O)COC(C)(C)C.
What is the InChIKey of 1-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propoxy]butan-2-ol?
The InChIKey is HIFPMEZPNZBDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O4/c1-5-9(12)6-14-7-10(13)8-15-11(2,3)4/h9-10,12-13H,5-8H2,1-4H3.
What are the key properties of 1-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propoxy]butan-2-ol?
1-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propoxy]butan-2-ol has a molecular weight of 220.31 g/mol, XLogP of 0.95, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propoxy]butan-2-ol is sourced from PubChem (CID 134453133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).