6-(6,6-dihydroxyhex-2-enoxy)hex-4-ene-1,1-diol

C12H22O5 — CID 173295773

IUPAC6-(6,6-dihydroxyhex-2-enoxy)hex-4-ene-1,1-diol
SMILESOC(O)CCC=CCOCC=CCCC(O)O
InChIInChI=1S/C12H22O5/c13-11(14)7-3-1-5-9-17-10-6-2-4-8-12(15)16/h1-2,5-6,11-16H,3-4,7-10H2
InChIKeyZLYSLVALLNQALU-UHFFFAOYSA-N
MW246.30 g/mol
LogP0.30
Rot. Bonds10

About 6-(6,6-dihydroxyhex-2-enoxy)hex-4-ene-1,1-diol

6-(6,6-dihydroxyhex-2-enoxy)hex-4-ene-1,1-diol (PubChem CID 173295773) has the molecular formula C12H22O5 and a molecular weight of 246.30 g/mol. Its IUPAC name is 6-(6,6-dihydroxyhex-2-enoxy)hex-4-ene-1,1-diol.

Molecular Properties

Compound Name6-(6,6-dihydroxyhex-2-enoxy)hex-4-ene-1,1-diol
PubChem CID173295773
Molecular FormulaC12H22O5
Molecular Weight246.30 g/mol
Exact Mass246.15
IUPAC Name6-(6,6-dihydroxyhex-2-enoxy)hex-4-ene-1,1-diol
SMILESOC(O)CCC=CCOCC=CCCC(O)O
InChIInChI=1S/C12H22O5/c13-11(14)7-3-1-5-9-17-10-6-2-4-8-12(15)16/h1-2,5-6,11-16H,3-4,7-10H2
InChIKeyZLYSLVALLNQALU-UHFFFAOYSA-N
XLogP0.30
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 50.30
H-Bond Donors ≤ 54
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(4E,6Z)-nona-4,6,8-triene-1,1-diol
CID 153499491
9-nona-2,8-dienoxynona-1,7-diene
CID 174408599
butane-1,1-diol;3-methyl-1-(3-methylbut-2-enoxy)but-2-ene
CID 174481809
(Z)-non-6-ene-1,1-diol
CID 170555028
[(E)-hex-2-enoxy]methanediol
CID 138520161
(2R)-3-[(E)-octadec-2-enoxy]propane-1,2-diol
CID 178047606
(2Z,5Z,24Z,27Z)-1,29-bis[2-(dimethylamino)ethoxy]nonacosa-2,5,24,27-tetraen-15-ol
CID 156805412
(Z)-1-hex-2-enoxydec-2-ene
CID 174457455
dodec-8-ene-1,1-diol
CID 90860381
[(2E)-6-hydroxynona-2,7,8-trienyl] acetate
CID 102303603
4-but-2-enoxybut-2-en-1-ol
CID 76540479
(E)-6-aminohex-5-ene-1,1-diol
CID 163840994

Frequently Asked Questions

What is the IUPAC name of 6-(6,6-dihydroxyhex-2-enoxy)hex-4-ene-1,1-diol?
The IUPAC name of 6-(6,6-dihydroxyhex-2-enoxy)hex-4-ene-1,1-diol (CID 173295773) is 6-(6,6-dihydroxyhex-2-enoxy)hex-4-ene-1,1-diol.
What is the SMILES notation for 6-(6,6-dihydroxyhex-2-enoxy)hex-4-ene-1,1-diol?
The canonical SMILES for 6-(6,6-dihydroxyhex-2-enoxy)hex-4-ene-1,1-diol is OC(O)CCC=CCOCC=CCCC(O)O.
What is the InChIKey of 6-(6,6-dihydroxyhex-2-enoxy)hex-4-ene-1,1-diol?
The InChIKey is ZLYSLVALLNQALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O5/c13-11(14)7-3-1-5-9-17-10-6-2-4-8-12(15)16/h1-2,5-6,11-16H,3-4,7-10H2.
What are the key properties of 6-(6,6-dihydroxyhex-2-enoxy)hex-4-ene-1,1-diol?
6-(6,6-dihydroxyhex-2-enoxy)hex-4-ene-1,1-diol has a molecular weight of 246.30 g/mol, XLogP of 0.30, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6,6-dihydroxyhex-2-enoxy)hex-4-ene-1,1-diol is sourced from PubChem (CID 173295773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).