3-[3-(2,3-dihydroxypropoxy)pent-3-enoxy]propane-1,2-diol

C11H22O6 — CID 148547128

IUPAC3-[3-(2,3-dihydroxypropoxy)pent-3-enoxy]propane-1,2-diol
SMILESCC=C(CCOCC(O)CO)OCC(O)CO
InChIInChI=1S/C11H22O6/c1-2-11(17-8-10(15)6-13)3-4-16-7-9(14)5-12/h2,9-10,12-15H,3-8H2,1H3
InChIKeyMWCQEIGSJLYNFH-UHFFFAOYSA-N
MW250.29 g/mol
LogP-0.98
Rot. Bonds10

About 3-[3-(2,3-dihydroxypropoxy)pent-3-enoxy]propane-1,2-diol

3-[3-(2,3-dihydroxypropoxy)pent-3-enoxy]propane-1,2-diol (PubChem CID 148547128) has the molecular formula C11H22O6 and a molecular weight of 250.29 g/mol. Its IUPAC name is 3-[3-(2,3-dihydroxypropoxy)pent-3-enoxy]propane-1,2-diol.

Molecular Properties

Compound Name3-[3-(2,3-dihydroxypropoxy)pent-3-enoxy]propane-1,2-diol
PubChem CID148547128
Molecular FormulaC11H22O6
Molecular Weight250.29 g/mol
Exact Mass250.14
IUPAC Name3-[3-(2,3-dihydroxypropoxy)pent-3-enoxy]propane-1,2-diol
SMILESCC=C(CCOCC(O)CO)OCC(O)CO
InChIInChI=1S/C11H22O6/c1-2-11(17-8-10(15)6-13)3-4-16-7-9(14)5-12/h2,9-10,12-15H,3-8H2,1H3
InChIKeyMWCQEIGSJLYNFH-UHFFFAOYSA-N
XLogP-0.98
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 5-0.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2-amino-2-hydroxyethoxy)propane-1,2-diol
CID 87602858
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane-1,2-diol
CID 88556608
3-[2-(2-ethoxyethoxy)ethoxy]propane-1,2-diol
CID 57186683
5-(2,3-dihydroxypropoxy)pentan-2-one
CID 87130954
3-(2,3-dihydroxypropoxy)propane-1,2-diol;propane-1,2,3-triol
CID 87090459
(2S)-3-pentoxypropane-1,2-diol
CID 56628191
3-(2,3-dihydroxypropoxy)-N-hydroxypropanamide
CID 141007752
3-(sulfanylmethoxy)propane-1,2-diol
CID 87475108
(2S)-3-octadecoxypropane-1,2-diol
CID 10860876
3-(2,3-dihydroxypropoxymethoxy)propane-1,2-diol
CID 59854090
magnesium;3-(2,3-dihydroxypropoxy)propane-1,2-diol;dichloride
CID 174372262
3-(4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenoxy)propane-1,2-diol
CID 118913633

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,3-dihydroxypropoxy)pent-3-enoxy]propane-1,2-diol?
The IUPAC name of 3-[3-(2,3-dihydroxypropoxy)pent-3-enoxy]propane-1,2-diol (CID 148547128) is 3-[3-(2,3-dihydroxypropoxy)pent-3-enoxy]propane-1,2-diol.
What is the SMILES notation for 3-[3-(2,3-dihydroxypropoxy)pent-3-enoxy]propane-1,2-diol?
The canonical SMILES for 3-[3-(2,3-dihydroxypropoxy)pent-3-enoxy]propane-1,2-diol is CC=C(CCOCC(O)CO)OCC(O)CO.
What is the InChIKey of 3-[3-(2,3-dihydroxypropoxy)pent-3-enoxy]propane-1,2-diol?
The InChIKey is MWCQEIGSJLYNFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O6/c1-2-11(17-8-10(15)6-13)3-4-16-7-9(14)5-12/h2,9-10,12-15H,3-8H2,1H3.
What are the key properties of 3-[3-(2,3-dihydroxypropoxy)pent-3-enoxy]propane-1,2-diol?
3-[3-(2,3-dihydroxypropoxy)pent-3-enoxy]propane-1,2-diol has a molecular weight of 250.29 g/mol, XLogP of -0.98, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,3-dihydroxypropoxy)pent-3-enoxy]propane-1,2-diol is sourced from PubChem (CID 148547128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).