1-[2,3-bis(2-hydroxybutoxy)propoxy]butan-2-ol

C15H32O6 — CID 22947936

IUPAC1-[2,3-bis(2-hydroxybutoxy)propoxy]butan-2-ol
SMILESCCC(O)COCC(COCC(O)CC)OCC(O)CC
InChIInChI=1S/C15H32O6/c1-4-12(16)7-19-10-15(21-9-14(18)6-3)11-20-8-13(17)5-2/h12-18H,4-11H2,1-3H3
InChIKeyNBDDSNLJGISUJJ-UHFFFAOYSA-N
MW308.42 g/mol
LogP0.72
Rot. Bonds14

About 1-[2,3-bis(2-hydroxybutoxy)propoxy]butan-2-ol

1-[2,3-bis(2-hydroxybutoxy)propoxy]butan-2-ol (PubChem CID 22947936) has the molecular formula C15H32O6 and a molecular weight of 308.42 g/mol. Its IUPAC name is 1-[2,3-bis(2-hydroxybutoxy)propoxy]butan-2-ol.

Molecular Properties

Compound Name1-[2,3-bis(2-hydroxybutoxy)propoxy]butan-2-ol
PubChem CID22947936
Molecular FormulaC15H32O6
Molecular Weight308.42 g/mol
Exact Mass308.22
IUPAC Name1-[2,3-bis(2-hydroxybutoxy)propoxy]butan-2-ol
SMILESCCC(O)COCC(COCC(O)CC)OCC(O)CC
InChIInChI=1S/C15H32O6/c1-4-12(16)7-19-10-15(21-9-14(18)6-3)11-20-8-13(17)5-2/h12-18H,4-11H2,1-3H3
InChIKeyNBDDSNLJGISUJJ-UHFFFAOYSA-N
XLogP0.72
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[2,3-bis(2-hydroxybutoxy)propoxy]butan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-[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
1-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propoxy]butan-2-ol
CID 134453133
2-[2-(2-hydroxybutoxy)butoxy]butan-1-ol
CID 22568338
1-(1,3-dioctoxypropan-2-yloxy)-3-octoxypropan-2-ol
CID 87462950
1-[2-[2-[2-(2-hydroxybutoxy)ethoxy]ethoxy]ethoxy]butan-2-ol
CID 12645981
(2R)-1-butoxybutan-2-ol
CID 27255938
3-(2-hydroxybutoxy)-2-(2-hydroxybutoxymethyl)propan-1-ol
CID 164930763
1-[1,3-bis(2-methoxyethoxy)propan-2-yloxy]-3-(2-methoxyethoxy)propan-2-ol
CID 132556170
3-[2-(3-hydroxy-2-methylpropoxy)butoxy]propane-1,2-diol
CID 126563059
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
1-but-3-enoxybutan-2-ol;tris(3-[2-but-3-enoxy-3-(2-hydroxybutoxy)propoxy]propane-1,2-diol);tetrakis(1-(3-but-3-enoxy-2-hydroxypropoxy)butan-2-ol)
CID 160690729

Frequently Asked Questions

What is the IUPAC name of 1-[2,3-bis(2-hydroxybutoxy)propoxy]butan-2-ol?
The IUPAC name of 1-[2,3-bis(2-hydroxybutoxy)propoxy]butan-2-ol (CID 22947936) is 1-[2,3-bis(2-hydroxybutoxy)propoxy]butan-2-ol.
What is the SMILES notation for 1-[2,3-bis(2-hydroxybutoxy)propoxy]butan-2-ol?
The canonical SMILES for 1-[2,3-bis(2-hydroxybutoxy)propoxy]butan-2-ol is CCC(O)COCC(COCC(O)CC)OCC(O)CC.
What is the InChIKey of 1-[2,3-bis(2-hydroxybutoxy)propoxy]butan-2-ol?
The InChIKey is NBDDSNLJGISUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O6/c1-4-12(16)7-19-10-15(21-9-14(18)6-3)11-20-8-13(17)5-2/h12-18H,4-11H2,1-3H3.
What are the key properties of 1-[2,3-bis(2-hydroxybutoxy)propoxy]butan-2-ol?
1-[2,3-bis(2-hydroxybutoxy)propoxy]butan-2-ol has a molecular weight of 308.42 g/mol, XLogP of 0.72, 14 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,3-bis(2-hydroxybutoxy)propoxy]butan-2-ol is sourced from PubChem (CID 22947936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).