3-decoxypropane-1,2-diol;ethoxyethane

C17H38O4 — CID 86708450

IUPAC3-decoxypropane-1,2-diol;ethoxyethane
SMILESCCCCCCCCCCOCC(O)CO.CCOCC
InChIInChI=1S/C13H28O3.C4H10O/c1-2-3-4-5-6-7-8-9-10-16-12-13(15)11-14;1-3-5-4-2/h13-15H,2-12H2,1H3;3-4H2,1-2H3
InChIKeyOELJRXRODDNAAM-UHFFFAOYSA-N
MW306.49 g/mol
LogP3.54
Rot. Bonds14

About 3-decoxypropane-1,2-diol;ethoxyethane

3-decoxypropane-1,2-diol;ethoxyethane (PubChem CID 86708450) has the molecular formula C17H38O4 and a molecular weight of 306.49 g/mol. Its IUPAC name is 3-decoxypropane-1,2-diol;ethoxyethane.

Molecular Properties

Compound Name3-decoxypropane-1,2-diol;ethoxyethane
PubChem CID86708450
Molecular FormulaC17H38O4
Molecular Weight306.49 g/mol
Exact Mass306.28
IUPAC Name3-decoxypropane-1,2-diol;ethoxyethane
SMILESCCCCCCCCCCOCC(O)CO.CCOCC
InChIInChI=1S/C13H28O3.C4H10O/c1-2-3-4-5-6-7-8-9-10-16-12-13(15)11-14;1-3-5-4-2/h13-15H,2-12H2,1H3;3-4H2,1-2H3
InChIKeyOELJRXRODDNAAM-UHFFFAOYSA-N
XLogP3.54
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.49
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-3-octadecoxypropane-1,2-diol
CID 10860876
3-heptoxypropane-1,2-diol;hydrate
CID 22908564
(2S)-3-pentoxypropane-1,2-diol
CID 56628191
(2R)-3-[(2R)-3-[(2S)-3-dodecoxy-2-hydroxypropoxy]-2-hydroxypropoxy]propane-1,2-diol
CID 11729241
3-(2,3-dihydroxypropoxy)propane-1,2-diol;1-hexoxyhexane
CID 87375114
3-hexoxypropane-1,2-diol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 174323318
3-[(E)-hexadec-7-enoxy]propane-1,2-diol
CID 10470922
(2S)-3-[(Z)-icos-9-enoxy]propane-1,2-diol
CID 101143228
3-[(E)-octadec-11-enoxy]propane-1,2-diol
CID 50987897
1-hexoxyhexane;1-nonoxynonane;tris(propane-1,2,3-triol);1-propoxypropane
CID 174343776
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

Frequently Asked Questions

What is the IUPAC name of 3-decoxypropane-1,2-diol;ethoxyethane?
The IUPAC name of 3-decoxypropane-1,2-diol;ethoxyethane (CID 86708450) is 3-decoxypropane-1,2-diol;ethoxyethane.
What is the SMILES notation for 3-decoxypropane-1,2-diol;ethoxyethane?
The canonical SMILES for 3-decoxypropane-1,2-diol;ethoxyethane is CCCCCCCCCCOCC(O)CO.CCOCC.
What is the InChIKey of 3-decoxypropane-1,2-diol;ethoxyethane?
The InChIKey is OELJRXRODDNAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O3.C4H10O/c1-2-3-4-5-6-7-8-9-10-16-12-13(15)11-14;1-3-5-4-2/h13-15H,2-12H2,1H3;3-4H2,1-2H3.
What are the key properties of 3-decoxypropane-1,2-diol;ethoxyethane?
3-decoxypropane-1,2-diol;ethoxyethane has a molecular weight of 306.49 g/mol, XLogP of 3.54, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-decoxypropane-1,2-diol;ethoxyethane is sourced from PubChem (CID 86708450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).