2-[2-(2-hydroxybutoxy)butoxy]butan-1-ol

C12H26O4 — CID 22568338

IUPAC2-[2-(2-hydroxybutoxy)butoxy]butan-1-ol
SMILESCCC(O)COC(CC)COC(CC)CO
InChIInChI=1S/C12H26O4/c1-4-10(14)8-15-12(6-3)9-16-11(5-2)7-13/h10-14H,4-9H2,1-3H3
InChIKeyYYBRFZQCFWBFLN-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.34
Rot. Bonds10

About 2-[2-(2-hydroxybutoxy)butoxy]butan-1-ol

2-[2-(2-hydroxybutoxy)butoxy]butan-1-ol (PubChem CID 22568338) has the molecular formula C12H26O4 and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-[2-(2-hydroxybutoxy)butoxy]butan-1-ol.

Molecular Properties

Compound Name2-[2-(2-hydroxybutoxy)butoxy]butan-1-ol
PubChem CID22568338
Molecular FormulaC12H26O4
Molecular Weight234.34 g/mol
Exact Mass234.18
IUPAC Name2-[2-(2-hydroxybutoxy)butoxy]butan-1-ol
SMILESCCC(O)COC(CC)COC(CC)CO
InChIInChI=1S/C12H26O4/c1-4-10(14)8-15-12(6-3)9-16-11(5-2)7-13/h10-14H,4-9H2,1-3H3
InChIKeyYYBRFZQCFWBFLN-UHFFFAOYSA-N
XLogP1.34
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,4R)-2-ethyl-4-(2-hydroxybutoxy)hexan-1-ol
CID 11543074
1-[1-(1-methoxypropan-2-yloxy)butan-2-yloxy]butan-2-ol
CID 169296791
1-[2,3-bis(2-hydroxybutoxy)propoxy]butan-2-ol
CID 22947936
(2S)-2-ethoxybutan-1-ol
CID 89167253
2-[2-[2-[2-[3-[1-[1,3-bis(1,3-dihydroxypropan-2-yloxy)propan-2-yloxy]-3-[1-(1,3-dihydroxypropan-2-yloxy)-3-hydroxypropan-2-yl]oxypropan-2-yl]oxy-2-[3-(1,3-dihydroxypropan-2-yloxy)-2-(2,3-dihydroxypropoxy)propoxy]propoxy]-3-(1,3-dihydroxypropan-2-yloxy)propoxy]-3-hydroxypropoxy]-3-hydroxypropoxy]propane-1,3-diol
CID 89349229
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-(3-hydroxy-2-methylpropoxy)butoxy]propane-1,2-diol
CID 126563059
2-[2-hydroxy-3-(1-hydroxydodecan-2-yloxy)propoxy]dodecan-1-ol
CID 10411951
2-[2-hydroxy-3-(1-hydroxyhexadecan-2-yloxy)propoxy]hexadecan-1-ol
CID 10415697
1,3-bis(1,3-dimethoxypropan-2-yloxy)propan-2-ol
CID 71445138
3-[2-[2-(2-methoxybutoxy)butoxy]butoxy]pentane
CID 90195811
3-(2-hydroxybutoxy)-2-(2-hydroxybutoxymethyl)propan-1-ol
CID 164930763

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxybutoxy)butoxy]butan-1-ol?
The IUPAC name of 2-[2-(2-hydroxybutoxy)butoxy]butan-1-ol (CID 22568338) is 2-[2-(2-hydroxybutoxy)butoxy]butan-1-ol.
What is the SMILES notation for 2-[2-(2-hydroxybutoxy)butoxy]butan-1-ol?
The canonical SMILES for 2-[2-(2-hydroxybutoxy)butoxy]butan-1-ol is CCC(O)COC(CC)COC(CC)CO.
What is the InChIKey of 2-[2-(2-hydroxybutoxy)butoxy]butan-1-ol?
The InChIKey is YYBRFZQCFWBFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O4/c1-4-10(14)8-15-12(6-3)9-16-11(5-2)7-13/h10-14H,4-9H2,1-3H3.
What are the key properties of 2-[2-(2-hydroxybutoxy)butoxy]butan-1-ol?
2-[2-(2-hydroxybutoxy)butoxy]butan-1-ol has a molecular weight of 234.34 g/mol, XLogP of 1.34, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxybutoxy)butoxy]butan-1-ol is sourced from PubChem (CID 22568338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).