4-butoxy-5-(2-hydroxyethoxy)-2-(2-hydroxypropoxy)pentan-1-ol

C14H30O6 — CID 22467714

IUPAC4-butoxy-5-(2-hydroxyethoxy)-2-(2-hydroxypropoxy)pentan-1-ol
SMILESCCCCOC(COCCO)CC(CO)OCC(C)O
InChIInChI=1S/C14H30O6/c1-3-4-6-19-14(11-18-7-5-15)8-13(9-16)20-10-12(2)17/h12-17H,3-11H2,1-2H3
InChIKeyVZTIITOUXBYUMH-UHFFFAOYSA-N
MW294.39 g/mol
LogP0.33
Rot. Bonds14

About 4-butoxy-5-(2-hydroxyethoxy)-2-(2-hydroxypropoxy)pentan-1-ol

4-butoxy-5-(2-hydroxyethoxy)-2-(2-hydroxypropoxy)pentan-1-ol (PubChem CID 22467714) has the molecular formula C14H30O6 and a molecular weight of 294.39 g/mol. Its IUPAC name is 4-butoxy-5-(2-hydroxyethoxy)-2-(2-hydroxypropoxy)pentan-1-ol.

Molecular Properties

Compound Name4-butoxy-5-(2-hydroxyethoxy)-2-(2-hydroxypropoxy)pentan-1-ol
PubChem CID22467714
Molecular FormulaC14H30O6
Molecular Weight294.39 g/mol
Exact Mass294.20
IUPAC Name4-butoxy-5-(2-hydroxyethoxy)-2-(2-hydroxypropoxy)pentan-1-ol
SMILESCCCCOC(COCCO)CC(CO)OCC(C)O
InChIInChI=1S/C14H30O6/c1-3-4-6-19-14(11-18-7-5-15)8-13(9-16)20-10-12(2)17/h12-17H,3-11H2,1-2H3
InChIKeyVZTIITOUXBYUMH-UHFFFAOYSA-N
XLogP0.33
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-butoxypropan-2-ol
CID 54289557
1-(2-hydroxyethoxy)propan-2-ol
CID 19360868
3-hexadecoxy-2-tetradecoxypropan-1-ol
CID 57128111
(2S)-2-decoxy-3-[20-[(2S)-2-decoxy-3-hydroxypropoxy]icosoxy]propan-1-ol
CID 100932836
(2R)-3-hexadecoxy-2-octoxypropan-1-ol
CID 87800892
1-butoxypropan-2-ol;ethane-1,2-diol;ethene
CID 161226770
butan-2-ol;2-butoxyethanol
CID 118377400
2,3-dihexadecoxypropan-1-ol;phosphane
CID 174353548
ethanol;2-(2-hydroxypropoxy)pentane-1,5-diol
CID 87266481
2-butoxyethanol;2-butoxypropan-1-ol
CID 162121003
3-hexadecoxy-2-octadecoxypropan-1-ol;phosphane
CID 174930808
3-(1-hydroxy-3-octoxypropan-2-yl)oxypropane-1,2-diol
CID 86103535

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-5-(2-hydroxyethoxy)-2-(2-hydroxypropoxy)pentan-1-ol?
The IUPAC name of 4-butoxy-5-(2-hydroxyethoxy)-2-(2-hydroxypropoxy)pentan-1-ol (CID 22467714) is 4-butoxy-5-(2-hydroxyethoxy)-2-(2-hydroxypropoxy)pentan-1-ol.
What is the SMILES notation for 4-butoxy-5-(2-hydroxyethoxy)-2-(2-hydroxypropoxy)pentan-1-ol?
The canonical SMILES for 4-butoxy-5-(2-hydroxyethoxy)-2-(2-hydroxypropoxy)pentan-1-ol is CCCCOC(COCCO)CC(CO)OCC(C)O.
What is the InChIKey of 4-butoxy-5-(2-hydroxyethoxy)-2-(2-hydroxypropoxy)pentan-1-ol?
The InChIKey is VZTIITOUXBYUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O6/c1-3-4-6-19-14(11-18-7-5-15)8-13(9-16)20-10-12(2)17/h12-17H,3-11H2,1-2H3.
What are the key properties of 4-butoxy-5-(2-hydroxyethoxy)-2-(2-hydroxypropoxy)pentan-1-ol?
4-butoxy-5-(2-hydroxyethoxy)-2-(2-hydroxypropoxy)pentan-1-ol has a molecular weight of 294.39 g/mol, XLogP of 0.33, 14 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-5-(2-hydroxyethoxy)-2-(2-hydroxypropoxy)pentan-1-ol is sourced from PubChem (CID 22467714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).