(3R,4R)-hex-5-ene-1,3,4-triol

C6H12O3 — CID 121404469

IUPAC(3R,4R)-hex-5-ene-1,3,4-triol
SMILESC=C[C@@H](O)[C@H](O)CCO
InChIInChI=1S/C6H12O3/c1-2-5(8)6(9)3-4-7/h2,5-9H,1,3-4H2/t5-,6-/m1/s1
InChIKeyRTJKNTFGZOGNLZ-PHDIDXHHSA-N
MW132.16 g/mol
LogP-0.72
Rot. Bonds4

About (3R,4R)-hex-5-ene-1,3,4-triol

(3R,4R)-hex-5-ene-1,3,4-triol (PubChem CID 121404469) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is (3R,4R)-hex-5-ene-1,3,4-triol.

Molecular Properties

Compound Name(3R,4R)-hex-5-ene-1,3,4-triol
PubChem CID121404469
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Name(3R,4R)-hex-5-ene-1,3,4-triol
SMILESC=C[C@@H](O)[C@H](O)CCO
InChIInChI=1S/C6H12O3/c1-2-5(8)6(9)3-4-7/h2,5-9H,1,3-4H2/t5-,6-/m1/s1
InChIKeyRTJKNTFGZOGNLZ-PHDIDXHHSA-N
XLogP-0.72
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
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'}

Analyze (3R,4R)-hex-5-ene-1,3,4-triol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,3S)-pent-4-ene-1,2,3-triol
CID 641010
(2S,3S,4R,5S)-hept-6-ene-1,2,3,4,5-pentol
CID 154708941
(4S)-hexa-1,5-diene-3,4-diol
CID 15562511
(3R,4R)-non-8-ene-1,3,4-triol
CID 10866828
1-aminohex-5-ene-2,3,4-triol
CID 75252970
(2S,3R,4S,5R)-2,3,4,5,7-pentahydroxyheptanal
CID 87503461
(3R)-3-fluoropent-4-en-1-ol
CID 101459116
(6S,7R)-6,7-dihydroxynon-8-en-2-one
CID 59003863
hex-5-ene-1,3-diol
CID 15626312
(2R,3S)-1-(hydroxyamino)pent-4-ene-2,3-diol
CID 101063277
2-(hydroxymethyl)pentane-1,3,5-triol
CID 123357506
4,4-dichlorobutane-1,3-diol
CID 22137487

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-hex-5-ene-1,3,4-triol?
The IUPAC name of (3R,4R)-hex-5-ene-1,3,4-triol (CID 121404469) is (3R,4R)-hex-5-ene-1,3,4-triol.
What is the SMILES notation for (3R,4R)-hex-5-ene-1,3,4-triol?
The canonical SMILES for (3R,4R)-hex-5-ene-1,3,4-triol is C=C[C@@H](O)[C@H](O)CCO.
What is the InChIKey of (3R,4R)-hex-5-ene-1,3,4-triol?
The InChIKey is RTJKNTFGZOGNLZ-PHDIDXHHSA-N. The full InChI is InChI=1S/C6H12O3/c1-2-5(8)6(9)3-4-7/h2,5-9H,1,3-4H2/t5-,6-/m1/s1.
What are the key properties of (3R,4R)-hex-5-ene-1,3,4-triol?
(3R,4R)-hex-5-ene-1,3,4-triol has a molecular weight of 132.16 g/mol, XLogP of -0.72, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-hex-5-ene-1,3,4-triol is sourced from PubChem (CID 121404469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).