3-(2-butoxy-1-ethoxyethoxy)propane-1,2-diol

C11H24O5 — CID 57074881

IUPAC3-(2-butoxy-1-ethoxyethoxy)propane-1,2-diol
SMILESCCCCOCC(OCC)OCC(O)CO
InChIInChI=1S/C11H24O5/c1-3-5-6-14-9-11(15-4-2)16-8-10(13)7-12/h10-13H,3-9H2,1-2H3
InChIKeyLCPAOLFGFOHGRK-UHFFFAOYSA-N
MW236.31 g/mol
LogP0.54
Rot. Bonds11

About 3-(2-butoxy-1-ethoxyethoxy)propane-1,2-diol

3-(2-butoxy-1-ethoxyethoxy)propane-1,2-diol (PubChem CID 57074881) has the molecular formula C11H24O5 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-(2-butoxy-1-ethoxyethoxy)propane-1,2-diol.

Molecular Properties

Compound Name3-(2-butoxy-1-ethoxyethoxy)propane-1,2-diol
PubChem CID57074881
Molecular FormulaC11H24O5
Molecular Weight236.31 g/mol
Exact Mass236.16
IUPAC Name3-(2-butoxy-1-ethoxyethoxy)propane-1,2-diol
SMILESCCCCOCC(OCC)OCC(O)CO
InChIInChI=1S/C11H24O5/c1-3-5-6-14-9-11(15-4-2)16-8-10(13)7-12/h10-13H,3-9H2,1-2H3
InChIKeyLCPAOLFGFOHGRK-UHFFFAOYSA-N
XLogP0.54
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2S)-3-pentoxypropane-1,2-diol
CID 56628191
3-(1-hydroxy-3-octoxypropan-2-yl)oxypropane-1,2-diol
CID 86103535
3-[3-(2,3-dihydroxypropoxy)-1,4-dihexadecoxybutan-2-yl]oxypropane-1,2-diol
CID 11422688
(2S)-3-octadecoxypropane-1,2-diol
CID 10860876
3-decoxypropane-1,2-diol;ethoxyethane
CID 86708450
3-heptoxypropane-1,2-diol;hydrate
CID 22908564
2-(1,2-dibutoxyethoxy)ethanol
CID 57055160
3-[1-(2,3-dihydroxypropoxy)dodecoxy]propane-1,2-diol
CID 23193769
(2R)-3-[(2R)-3-[(2S)-3-dodecoxy-2-hydroxypropoxy]-2-hydroxypropoxy]propane-1,2-diol
CID 11729241
3-(1-chloro-3-octoxypropan-2-yl)oxypropane-1,2-diol
CID 86111870
3-(2,3-dihydroxypropoxy)propane-1,2-diol;1-hexoxyhexane
CID 87375114
1-(2,2-diethoxyethoxy)-3-methoxypropane
CID 63629609

Frequently Asked Questions

What is the IUPAC name of 3-(2-butoxy-1-ethoxyethoxy)propane-1,2-diol?
The IUPAC name of 3-(2-butoxy-1-ethoxyethoxy)propane-1,2-diol (CID 57074881) is 3-(2-butoxy-1-ethoxyethoxy)propane-1,2-diol.
What is the SMILES notation for 3-(2-butoxy-1-ethoxyethoxy)propane-1,2-diol?
The canonical SMILES for 3-(2-butoxy-1-ethoxyethoxy)propane-1,2-diol is CCCCOCC(OCC)OCC(O)CO.
What is the InChIKey of 3-(2-butoxy-1-ethoxyethoxy)propane-1,2-diol?
The InChIKey is LCPAOLFGFOHGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O5/c1-3-5-6-14-9-11(15-4-2)16-8-10(13)7-12/h10-13H,3-9H2,1-2H3.
What are the key properties of 3-(2-butoxy-1-ethoxyethoxy)propane-1,2-diol?
3-(2-butoxy-1-ethoxyethoxy)propane-1,2-diol has a molecular weight of 236.31 g/mol, XLogP of 0.54, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-butoxy-1-ethoxyethoxy)propane-1,2-diol is sourced from PubChem (CID 57074881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).