3-hexoxypropane-1,2-diol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol

C15H34O7 — CID 174323318

IUPAC3-hexoxypropane-1,2-diol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
SMILESCCCCCCOCC(O)CO.OCCOCCOCCO
InChIInChI=1S/C9H20O3.C6H14O4/c1-2-3-4-5-6-12-8-9(11)7-10;7-1-3-9-5-6-10-4-2-8/h9-11H,2-8H2,1H3;7-8H,1-6H2
InChIKeyYKYXUIHAXMFGFC-UHFFFAOYSA-N
MW326.43 g/mol
LogP-0.06
Rot. Bonds15

About 3-hexoxypropane-1,2-diol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol

3-hexoxypropane-1,2-diol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol (PubChem CID 174323318) has the molecular formula C15H34O7 and a molecular weight of 326.43 g/mol. Its IUPAC name is 3-hexoxypropane-1,2-diol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol.

Molecular Properties

Compound Name3-hexoxypropane-1,2-diol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
PubChem CID174323318
Molecular FormulaC15H34O7
Molecular Weight326.43 g/mol
Exact Mass326.23
IUPAC Name3-hexoxypropane-1,2-diol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
SMILESCCCCCCOCC(O)CO.OCCOCCOCCO
InChIInChI=1S/C9H20O3.C6H14O4/c1-2-3-4-5-6-12-8-9(11)7-10;7-1-3-9-5-6-10-4-2-8/h9-11H,2-8H2,1H3;7-8H,1-6H2
InChIKeyYKYXUIHAXMFGFC-UHFFFAOYSA-N
XLogP-0.06
TPSA108.61 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 5-0.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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
1-hexadecoxy-3-(2-hydroxyethoxy)propan-2-ol
CID 165348602
3-(2,3-dihydroxypropoxy)propane-1,2-diol;1-hexoxyhexane
CID 87375114
(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-decoxypropane-1,2-diol;ethoxyethane
CID 86708450
(2R)-1-hexoxy-3-[2-(2-hexoxyethoxy)ethoxy]propan-2-ol
CID 40535127
1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]tetradecan-2-ol
CID 139267706
1-hexoxyhexane;1-nonoxynonane;tris(propane-1,2,3-triol);1-propoxypropane
CID 174343776
2-[2-(2-butoxyethoxy)ethoxy]ethanol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;propane-1,2,3-triol
CID 159075301
1-hexadecoxyhexadecane;bis(propane-1,2,3-triol)
CID 18958593

Frequently Asked Questions

What is the IUPAC name of 3-hexoxypropane-1,2-diol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol?
The IUPAC name of 3-hexoxypropane-1,2-diol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol (CID 174323318) is 3-hexoxypropane-1,2-diol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol.
What is the SMILES notation for 3-hexoxypropane-1,2-diol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol?
The canonical SMILES for 3-hexoxypropane-1,2-diol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol is CCCCCCOCC(O)CO.OCCOCCOCCO.
What is the InChIKey of 3-hexoxypropane-1,2-diol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol?
The InChIKey is YKYXUIHAXMFGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O3.C6H14O4/c1-2-3-4-5-6-12-8-9(11)7-10;7-1-3-9-5-6-10-4-2-8/h9-11H,2-8H2,1H3;7-8H,1-6H2.
What are the key properties of 3-hexoxypropane-1,2-diol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol?
3-hexoxypropane-1,2-diol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol has a molecular weight of 326.43 g/mol, XLogP of -0.06, 15 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexoxypropane-1,2-diol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol is sourced from PubChem (CID 174323318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).