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

C12H22O5 — CID 57018640

IUPAC3-(1,2-dihydroxyhex-5-en-3-yloxy)hex-5-ene-1,2-diol
SMILESC=CCC(OC(CC=C)C(O)CO)C(O)CO
InChIInChI=1S/C12H22O5/c1-3-5-11(9(15)7-13)17-12(6-4-2)10(16)8-14/h3-4,9-16H,1-2,5-8H2
InChIKeyYVCHZHMXHQIIAT-UHFFFAOYSA-N
MW246.30 g/mol
LogP-0.40
Rot. Bonds10

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

3-(1,2-dihydroxyhex-5-en-3-yloxy)hex-5-ene-1,2-diol (PubChem CID 57018640) has the molecular formula C12H22O5 and a molecular weight of 246.30 g/mol. Its IUPAC name is 3-(1,2-dihydroxyhex-5-en-3-yloxy)hex-5-ene-1,2-diol.

Molecular Properties

Compound Name3-(1,2-dihydroxyhex-5-en-3-yloxy)hex-5-ene-1,2-diol
PubChem CID57018640
Molecular FormulaC12H22O5
Molecular Weight246.30 g/mol
Exact Mass246.15
IUPAC Name3-(1,2-dihydroxyhex-5-en-3-yloxy)hex-5-ene-1,2-diol
SMILESC=CCC(OC(CC=C)C(O)CO)C(O)CO
InChIInChI=1S/C12H22O5/c1-3-5-11(9(15)7-13)17-12(6-4-2)10(16)8-14/h3-4,9-16H,1-2,5-8H2
InChIKeyYVCHZHMXHQIIAT-UHFFFAOYSA-N
XLogP-0.40
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 ≤ 5-0.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-prop-2-enylbutane-1,2,4-triol
CID 13198343
(2R,3R,4R)-oct-7-ene-1,2,3,4,5-pentol
CID 134906193
(2R,3R,4R,5S,6R)-non-8-ene-1,2,3,4,5,6-hexol
CID 87557711
3-(1,2-dihydroxypentan-3-yloxy)pentane-1,2-diol
CID 57312737
(2R,3S)-3,4-bis(prop-2-enoxy)butane-1,2-diol
CID 87506551
(2S,3S)-3-methylhept-6-ene-1,2-diol
CID 102243304
(2R)-2-methylhex-5-ene-1,3-diol
CID 130652300
3-prop-2-enoxypentane-1,2,4,5-tetrol
CID 142590945
(2S,3R)-2-[(1R)-1-tri(propan-2-yl)silyloxybut-3-enyl]hex-5-ene-1,3-diol
CID 10497523
(2S,3S)-pent-4-ene-1,2,3-triol
CID 641010
2-prop-2-enylpent-4-en-1-ol
CID 14895210
2-prop-2-enylpropane-1,1,3-triol
CID 87898670

Frequently Asked Questions

What is the IUPAC name of 3-(1,2-dihydroxyhex-5-en-3-yloxy)hex-5-ene-1,2-diol?
The IUPAC name of 3-(1,2-dihydroxyhex-5-en-3-yloxy)hex-5-ene-1,2-diol (CID 57018640) is 3-(1,2-dihydroxyhex-5-en-3-yloxy)hex-5-ene-1,2-diol.
What is the SMILES notation for 3-(1,2-dihydroxyhex-5-en-3-yloxy)hex-5-ene-1,2-diol?
The canonical SMILES for 3-(1,2-dihydroxyhex-5-en-3-yloxy)hex-5-ene-1,2-diol is C=CCC(OC(CC=C)C(O)CO)C(O)CO.
What is the InChIKey of 3-(1,2-dihydroxyhex-5-en-3-yloxy)hex-5-ene-1,2-diol?
The InChIKey is YVCHZHMXHQIIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O5/c1-3-5-11(9(15)7-13)17-12(6-4-2)10(16)8-14/h3-4,9-16H,1-2,5-8H2.
What are the key properties of 3-(1,2-dihydroxyhex-5-en-3-yloxy)hex-5-ene-1,2-diol?
3-(1,2-dihydroxyhex-5-en-3-yloxy)hex-5-ene-1,2-diol has a molecular weight of 246.30 g/mol, XLogP of -0.40, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2-dihydroxyhex-5-en-3-yloxy)hex-5-ene-1,2-diol is sourced from PubChem (CID 57018640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).