3-(2,3-dihydroxypropoxy)propane-1,2-diol;1-hexoxyhexane

C18H40O6 — CID 87375114

IUPAC3-(2,3-dihydroxypropoxy)propane-1,2-diol;1-hexoxyhexane
SMILESCCCCCCOCCCCCC.OCC(O)COCC(O)CO
InChIInChI=1S/C12H26O.C6H14O5/c1-3-5-7-9-11-13-12-10-8-6-4-2;7-1-5(9)3-11-4-6(10)2-8/h3-12H2,1-2H3;5-10H,1-4H2
InChIKeyVZBYLUDIGOJUPG-UHFFFAOYSA-N
MW352.51 g/mol
LogP1.87
Rot. Bonds16

About 3-(2,3-dihydroxypropoxy)propane-1,2-diol;1-hexoxyhexane

3-(2,3-dihydroxypropoxy)propane-1,2-diol;1-hexoxyhexane (PubChem CID 87375114) has the molecular formula C18H40O6 and a molecular weight of 352.51 g/mol. Its IUPAC name is 3-(2,3-dihydroxypropoxy)propane-1,2-diol;1-hexoxyhexane.

Molecular Properties

Compound Name3-(2,3-dihydroxypropoxy)propane-1,2-diol;1-hexoxyhexane
PubChem CID87375114
Molecular FormulaC18H40O6
Molecular Weight352.51 g/mol
Exact Mass352.28
IUPAC Name3-(2,3-dihydroxypropoxy)propane-1,2-diol;1-hexoxyhexane
SMILESCCCCCCOCCCCCC.OCC(O)COCC(O)CO
InChIInChI=1S/C12H26O.C6H14O5/c1-3-5-7-9-11-13-12-10-8-6-4-2;7-1-5(9)3-11-4-6(10)2-8/h3-12H2,1-2H3;5-10H,1-4H2
InChIKeyVZBYLUDIGOJUPG-UHFFFAOYSA-N
XLogP1.87
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.51
LogP ≤ 51.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2R)-3-[(2R)-3-[(2S)-3-dodecoxy-2-hydroxypropoxy]-2-hydroxypropoxy]propane-1,2-diol
CID 11729241
(2S)-3-octadecoxypropane-1,2-diol
CID 10860876
3-heptoxypropane-1,2-diol;hydrate
CID 22908564
(2S)-3-pentoxypropane-1,2-diol
CID 56628191
1-hexoxyhexane;1-nonoxynonane;tris(propane-1,2,3-triol);1-propoxypropane
CID 174343776
1-octadecoxyoctadecane;propane-1,2,3-triol
CID 22182873
1-nonoxynonane;propane-1,2,3-triol
CID 87147936
1-dodecoxydodecane;decakis(propane-1,2,3-triol)
CID 18779938
1-dodecoxydodecane;tetrakis(propane-1,2,3-triol)
CID 18779944
1-decoxydecane;decakis(propane-1,2,3-triol)
CID 173382883
1-hexadecoxyhexadecane;bis(propane-1,2,3-triol)
CID 18958593
3-hexoxypropane-1,2-diol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 174323318

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroxypropoxy)propane-1,2-diol;1-hexoxyhexane?
The IUPAC name of 3-(2,3-dihydroxypropoxy)propane-1,2-diol;1-hexoxyhexane (CID 87375114) is 3-(2,3-dihydroxypropoxy)propane-1,2-diol;1-hexoxyhexane.
What is the SMILES notation for 3-(2,3-dihydroxypropoxy)propane-1,2-diol;1-hexoxyhexane?
The canonical SMILES for 3-(2,3-dihydroxypropoxy)propane-1,2-diol;1-hexoxyhexane is CCCCCCOCCCCCC.OCC(O)COCC(O)CO.
What is the InChIKey of 3-(2,3-dihydroxypropoxy)propane-1,2-diol;1-hexoxyhexane?
The InChIKey is VZBYLUDIGOJUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O.C6H14O5/c1-3-5-7-9-11-13-12-10-8-6-4-2;7-1-5(9)3-11-4-6(10)2-8/h3-12H2,1-2H3;5-10H,1-4H2.
What are the key properties of 3-(2,3-dihydroxypropoxy)propane-1,2-diol;1-hexoxyhexane?
3-(2,3-dihydroxypropoxy)propane-1,2-diol;1-hexoxyhexane has a molecular weight of 352.51 g/mol, XLogP of 1.87, 16 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroxypropoxy)propane-1,2-diol;1-hexoxyhexane is sourced from PubChem (CID 87375114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).