(E,2S,3S)-hex-4-ene-1,2,3-triol

C6H12O3 — CID 15318264

IUPAC(E,2S,3S)-hex-4-ene-1,2,3-triol
SMILESC/C=C/[C@H](O)[C@@H](O)CO
InChIInChI=1S/C6H12O3/c1-2-3-5(8)6(9)4-7/h2-3,5-9H,4H2,1H3/b3-2+/t5-,6-/m0/s1
InChIKeyVRVSHOSUSHYQIQ-KXQHVCLCSA-N
MW132.16 g/mol
LogP-0.72
Rot. Bonds3

About (E,2S,3S)-hex-4-ene-1,2,3-triol

(E,2S,3S)-hex-4-ene-1,2,3-triol (PubChem CID 15318264) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is (E,2S,3S)-hex-4-ene-1,2,3-triol.

Molecular Properties

Compound Name(E,2S,3S)-hex-4-ene-1,2,3-triol
PubChem CID15318264
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Name(E,2S,3S)-hex-4-ene-1,2,3-triol
SMILESC/C=C/[C@H](O)[C@@H](O)CO
InChIInChI=1S/C6H12O3/c1-2-3-5(8)6(9)4-7/h2-3,5-9H,4H2,1H3/b3-2+/t5-,6-/m0/s1
InChIKeyVRVSHOSUSHYQIQ-KXQHVCLCSA-N
XLogP-0.72
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 5-0.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Cis-1,2-dihydrocatechol
CID 176951
5,6-Dihydroxycyclohexa-1,3-diene
CID 418
(1R,2R)-cyclohexa-3,5-diene-1,2-diol
CID 149186
3,5-Cyclohexadiene-1,2-diol, 3-methyl-, cis-
CID 440399
4-Cyclopentene-1,3-diol
CID 278600
Hex-4-en-3-ol
CID 5366234
2-Hepten-4-ol
CID 5366235
Conduritol A
CID 10290861
Safynol
CID 6442707
Npc177874
CID 5807986
cis-4-Cyclopentene-1,3-Diol
CID 10148988
(1S,2S)-cyclohexa-3,5-diene-1,2-diol
CID 152287

Frequently Asked Questions

What is the IUPAC name of (E,2S,3S)-hex-4-ene-1,2,3-triol?
The IUPAC name of (E,2S,3S)-hex-4-ene-1,2,3-triol (CID 15318264) is (E,2S,3S)-hex-4-ene-1,2,3-triol.
What is the SMILES notation for (E,2S,3S)-hex-4-ene-1,2,3-triol?
The canonical SMILES for (E,2S,3S)-hex-4-ene-1,2,3-triol is C/C=C/[C@H](O)[C@@H](O)CO.
What is the InChIKey of (E,2S,3S)-hex-4-ene-1,2,3-triol?
The InChIKey is VRVSHOSUSHYQIQ-KXQHVCLCSA-N. The full InChI is InChI=1S/C6H12O3/c1-2-3-5(8)6(9)4-7/h2-3,5-9H,4H2,1H3/b3-2+/t5-,6-/m0/s1.
What are the key properties of (E,2S,3S)-hex-4-ene-1,2,3-triol?
(E,2S,3S)-hex-4-ene-1,2,3-triol has a molecular weight of 132.16 g/mol, XLogP of -0.72, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S,3S)-hex-4-ene-1,2,3-triol is sourced from PubChem (CID 15318264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).