3-[2-(3-hydroxy-2-methylpropoxy)butoxy]propane-1,2-diol

C11H24O5 — CID 126563059

IUPAC3-[2-(3-hydroxy-2-methylpropoxy)butoxy]propane-1,2-diol
SMILESCCC(COCC(O)CO)OCC(C)CO
InChIInChI=1S/C11H24O5/c1-3-11(16-6-9(2)4-12)8-15-7-10(14)5-13/h9-14H,3-8H2,1-2H3
InChIKeyDEUXQPJUQLRJRQ-UHFFFAOYSA-N
MW236.31 g/mol
LogP-0.22
Rot. Bonds10

About 3-[2-(3-hydroxy-2-methylpropoxy)butoxy]propane-1,2-diol

3-[2-(3-hydroxy-2-methylpropoxy)butoxy]propane-1,2-diol (PubChem CID 126563059) has the molecular formula C11H24O5 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-[2-(3-hydroxy-2-methylpropoxy)butoxy]propane-1,2-diol.

Molecular Properties

Compound Name3-[2-(3-hydroxy-2-methylpropoxy)butoxy]propane-1,2-diol
PubChem CID126563059
Molecular FormulaC11H24O5
Molecular Weight236.31 g/mol
Exact Mass236.16
IUPAC Name3-[2-(3-hydroxy-2-methylpropoxy)butoxy]propane-1,2-diol
SMILESCCC(COCC(O)CO)OCC(C)CO
InChIInChI=1S/C11H24O5/c1-3-11(16-6-9(2)4-12)8-15-7-10(14)5-13/h9-14H,3-8H2,1-2H3
InChIKeyDEUXQPJUQLRJRQ-UHFFFAOYSA-N
XLogP-0.22
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-[2-[(2R)-3-[1,3-bis[1,3-bis(2,3-dihydroxypropoxy)propan-2-yloxy]propan-2-yloxy]-2-methylpropoxy]-3-[1,3-bis(2,3-dihydroxypropoxy)propan-2-yloxy]propoxy]-3-(2-hydroxybutoxy)propoxy]propane-1,2-diol
CID 134336101
3-[2-[2-[3-[1,3-bis[1,3-bis(2,3-dihydroxypropoxy)propan-2-yloxy]propan-2-yloxy]-2-methylpropoxy]-3-[1,3-bis(2,3-dihydroxypropoxy)propan-2-yloxy]propoxy]-3-(2,3-dihydroxypropoxy)propoxy]propane-1,2-diol;3-[2-[3-[1,3-bis(2,3-dihydroxypropoxy)propan-2-yloxy]-2-methylpropoxy]-3-(2,3-dihydroxypropoxy)propoxy]propane-1,2-diol;3-[3-(2,3-dihydroxypropoxy)-2-methylpropoxy]propane-1,2-diol
CID 159080569
3-[2-[2-[(2R)-3-[1,3-bis[1,3-bis(2,3-dihydroxypropoxy)propan-2-yloxy]propan-2-yloxy]-2-methylpropoxy]-3-[1,3-bis(2,3-dihydroxypropoxy)propan-2-yloxy]propoxy]-3-(2-hydroxybutoxy)propoxy]propane-1,2-diol;4-[1-[(2S)-3-[1,3-bis(2,3-dihydroxypropoxy)propan-2-yloxy]-2-methylpropoxy]-2-(2,3-dihydroxypropoxy)ethoxy]butane-1,2-diol;3-[3-(2,3-dihydroxypropoxy)-2-methylpropoxy]propane-1,2-diol
CID 162249983
3-[3-[3-[2-[2,3-bis[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]propoxy]-3-[1-(2,3-dihydroxypropoxy)-3-[1-(2,3-dihydroxypropoxy)-3-[3-(2,3-dihydroxypropoxy)-2-[3-(2,3-dihydroxypropoxy)-2-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]propoxy]propoxy]propan-2-yl]oxypropan-2-yl]oxypropoxy]-2-(2,3-dihydroxypropoxy)propoxy]-2-hydroxypropoxy]propane-1,2-diol
CID 58807552
3-[3-[3-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]-2-methylpropoxy]-2-hydroxypropoxy]propane-1,2-diol
CID 54295342
1-[2,3-bis(2-hydroxybutoxy)propoxy]butan-2-ol
CID 22947936
2-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]propane-1,3-diol
CID 134863020
3-[2-(2,3-dihydroxypropoxy)-3-sulfanylpropoxy]propane-1,2-diol
CID 57044013
3-[3-[1,3-bis[3-cyclobutyl-2-(2,3-dihydroxypropoxy)propoxy]propan-2-yloxy]-2-methylpropoxy]propane-1,2-diol
CID 146342702
3-(2,3-dihydroxypropoxy)propane-1,2-diol;propane-1,2,3-triol
CID 87090459
2-[2-(2-hydroxybutoxy)butoxy]butan-1-ol
CID 22568338
3-(2-dodecoxy-3-hydroxypropoxy)propane-1,2-diol
CID 54180430

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-hydroxy-2-methylpropoxy)butoxy]propane-1,2-diol?
The IUPAC name of 3-[2-(3-hydroxy-2-methylpropoxy)butoxy]propane-1,2-diol (CID 126563059) is 3-[2-(3-hydroxy-2-methylpropoxy)butoxy]propane-1,2-diol.
What is the SMILES notation for 3-[2-(3-hydroxy-2-methylpropoxy)butoxy]propane-1,2-diol?
The canonical SMILES for 3-[2-(3-hydroxy-2-methylpropoxy)butoxy]propane-1,2-diol is CCC(COCC(O)CO)OCC(C)CO.
What is the InChIKey of 3-[2-(3-hydroxy-2-methylpropoxy)butoxy]propane-1,2-diol?
The InChIKey is DEUXQPJUQLRJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O5/c1-3-11(16-6-9(2)4-12)8-15-7-10(14)5-13/h9-14H,3-8H2,1-2H3.
What are the key properties of 3-[2-(3-hydroxy-2-methylpropoxy)butoxy]propane-1,2-diol?
3-[2-(3-hydroxy-2-methylpropoxy)butoxy]propane-1,2-diol has a molecular weight of 236.31 g/mol, XLogP of -0.22, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-hydroxy-2-methylpropoxy)butoxy]propane-1,2-diol is sourced from PubChem (CID 126563059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).