5-(3,6-dihydroxyhex-1-en-2-yloxy)hex-5-ene-1,4-diol

C12H22O5 — CID 23196187

IUPAC5-(3,6-dihydroxyhex-1-en-2-yloxy)hex-5-ene-1,4-diol
SMILESC=C(OC(=C)C(O)CCCO)C(O)CCCO
InChIInChI=1S/C12H22O5/c1-9(11(15)5-3-7-13)17-10(2)12(16)6-4-8-14/h11-16H,1-8H2
InChIKeyKORYUKDYJHPQLB-UHFFFAOYSA-N
MW246.30 g/mol
LogP0.30
Rot. Bonds10

About 5-(3,6-dihydroxyhex-1-en-2-yloxy)hex-5-ene-1,4-diol

5-(3,6-dihydroxyhex-1-en-2-yloxy)hex-5-ene-1,4-diol (PubChem CID 23196187) has the molecular formula C12H22O5 and a molecular weight of 246.30 g/mol. Its IUPAC name is 5-(3,6-dihydroxyhex-1-en-2-yloxy)hex-5-ene-1,4-diol.

Molecular Properties

Compound Name5-(3,6-dihydroxyhex-1-en-2-yloxy)hex-5-ene-1,4-diol
PubChem CID23196187
Molecular FormulaC12H22O5
Molecular Weight246.30 g/mol
Exact Mass246.15
IUPAC Name5-(3,6-dihydroxyhex-1-en-2-yloxy)hex-5-ene-1,4-diol
SMILESC=C(OC(=C)C(O)CCCO)C(O)CCCO
InChIInChI=1S/C12H22O5/c1-9(11(15)5-3-7-13)17-10(2)12(16)6-4-8-14/h11-16H,1-8H2
InChIKeyKORYUKDYJHPQLB-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': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3,6-dihydroxyhex-1-en-2-yloxy)hex-5-ene-1,4-diol?
The IUPAC name of 5-(3,6-dihydroxyhex-1-en-2-yloxy)hex-5-ene-1,4-diol (CID 23196187) is 5-(3,6-dihydroxyhex-1-en-2-yloxy)hex-5-ene-1,4-diol.
What is the SMILES notation for 5-(3,6-dihydroxyhex-1-en-2-yloxy)hex-5-ene-1,4-diol?
The canonical SMILES for 5-(3,6-dihydroxyhex-1-en-2-yloxy)hex-5-ene-1,4-diol is C=C(OC(=C)C(O)CCCO)C(O)CCCO.
What is the InChIKey of 5-(3,6-dihydroxyhex-1-en-2-yloxy)hex-5-ene-1,4-diol?
The InChIKey is KORYUKDYJHPQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O5/c1-9(11(15)5-3-7-13)17-10(2)12(16)6-4-8-14/h11-16H,1-8H2.
What are the key properties of 5-(3,6-dihydroxyhex-1-en-2-yloxy)hex-5-ene-1,4-diol?
5-(3,6-dihydroxyhex-1-en-2-yloxy)hex-5-ene-1,4-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 5-(3,6-dihydroxyhex-1-en-2-yloxy)hex-5-ene-1,4-diol is sourced from PubChem (CID 23196187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).