(2R,5R)-hex-3-ene-1,2,5,6-tetrol

C6H12O4 — CID 88508901

IUPAC(2R,5R)-hex-3-ene-1,2,5,6-tetrol
SMILESOC[C@H](O)C=C[C@@H](O)CO
InChIInChI=1S/C6H12O4/c7-3-5(9)1-2-6(10)4-8/h1-2,5-10H,3-4H2/t5-,6-/m1/s1
InChIKeyLFUPTFHBGBCXDZ-PHDIDXHHSA-N
MW148.16 g/mol
LogP-1.75
Rot. Bonds4

About (2R,5R)-hex-3-ene-1,2,5,6-tetrol

(2R,5R)-hex-3-ene-1,2,5,6-tetrol (PubChem CID 88508901) has the molecular formula C6H12O4 and a molecular weight of 148.16 g/mol. Its IUPAC name is (2R,5R)-hex-3-ene-1,2,5,6-tetrol.

Molecular Properties

Compound Name(2R,5R)-hex-3-ene-1,2,5,6-tetrol
PubChem CID88508901
Molecular FormulaC6H12O4
Molecular Weight148.16 g/mol
Exact Mass148.07
IUPAC Name(2R,5R)-hex-3-ene-1,2,5,6-tetrol
SMILESOC[C@H](O)C=C[C@@H](O)CO
InChIInChI=1S/C6H12O4/c7-3-5(9)1-2-6(10)4-8/h1-2,5-10H,3-4H2/t5-,6-/m1/s1
InChIKeyLFUPTFHBGBCXDZ-PHDIDXHHSA-N
XLogP-1.75
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 5-1.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

pent-3-ene-1,2-diol;hydrochloride
CID 141276135
(E,5S)-1,5,6-trihydroxyhex-3-en-2-one
CID 131233284
(E)-5-methylhex-3-ene-1,2,5-triol
CID 130145462
6-methylhepta-3,5-diene-1,2,5-triol
CID 173348804
(E,2S)-dec-3-ene-1,2-diol
CID 101192698
[(Z,4S)-4,5-dihydroxypent-2-enyl] acetate
CID 11040986
difluorophosphinic acid;hex-3-ene-1,2-diol
CID 175359188
(3Z,5S,6R,11E)-trideca-3,11-dien-7,9-diyne-1,2,5,6-tetrol
CID 132506000
(2S)-3-[[(E)-but-2-enyl]amino]propane-1,2-diol
CID 131247473
3-[[(E)-but-2-enyl]amino]propane-1,2-diol
CID 107899064
ethyl 6,7-dihydroxyhept-4-enoate
CID 53423872
(2S)-4-(3,4-dimethoxyphenyl)but-3-ene-1,2-diol
CID 162958577

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-hex-3-ene-1,2,5,6-tetrol?
The IUPAC name of (2R,5R)-hex-3-ene-1,2,5,6-tetrol (CID 88508901) is (2R,5R)-hex-3-ene-1,2,5,6-tetrol.
What is the SMILES notation for (2R,5R)-hex-3-ene-1,2,5,6-tetrol?
The canonical SMILES for (2R,5R)-hex-3-ene-1,2,5,6-tetrol is OC[C@H](O)C=C[C@@H](O)CO.
What is the InChIKey of (2R,5R)-hex-3-ene-1,2,5,6-tetrol?
The InChIKey is LFUPTFHBGBCXDZ-PHDIDXHHSA-N. The full InChI is InChI=1S/C6H12O4/c7-3-5(9)1-2-6(10)4-8/h1-2,5-10H,3-4H2/t5-,6-/m1/s1.
What are the key properties of (2R,5R)-hex-3-ene-1,2,5,6-tetrol?
(2R,5R)-hex-3-ene-1,2,5,6-tetrol has a molecular weight of 148.16 g/mol, XLogP of -1.75, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-hex-3-ene-1,2,5,6-tetrol is sourced from PubChem (CID 88508901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).