(2R,3R)-hex-5-ene-2,3-diol

C6H12O2 — CID 10931415

IUPAC(2R,3R)-hex-5-ene-2,3-diol
SMILESC=CC[C@@H](O)[C@@H](C)O
InChIInChI=1S/C6H12O2/c1-3-4-6(8)5(2)7/h3,5-8H,1,4H2,2H3/t5-,6-/m1/s1
InChIKeyYWBQIXHJSPEYDQ-PHDIDXHHSA-N
MW116.16 g/mol
LogP0.30
Rot. Bonds3

About (2R,3R)-hex-5-ene-2,3-diol

(2R,3R)-hex-5-ene-2,3-diol (PubChem CID 10931415) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is (2R,3R)-hex-5-ene-2,3-diol.

Molecular Properties

Compound Name(2R,3R)-hex-5-ene-2,3-diol
PubChem CID10931415
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name(2R,3R)-hex-5-ene-2,3-diol
SMILESC=CC[C@@H](O)[C@@H](C)O
InChIInChI=1S/C6H12O2/c1-3-4-6(8)5(2)7/h3,5-8H,1,4H2,2H3/t5-,6-/m1/s1
InChIKeyYWBQIXHJSPEYDQ-PHDIDXHHSA-N
XLogP0.30
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Hepta-1,6-dien-4-ol
CID 17902
1-Hepten-4-ol
CID 19040
Divinyl glycol
CID 14042
4-Penten-2-OL
CID 12247
5-Hexen-2-ol
CID 41170
(2R)-pent-4-en-2-ol
CID 6999724
(S)-(+)-4-Penten-2-ol
CID 6994332
(2R)-hex-5-en-2-ol
CID 11848709
Hex-5-en-3-ol
CID 136489
6-Hepten-3-ol
CID 140608
(1R,2R)-cyclohex-4-ene-1,2-diol
CID 11274988
(2S)-hex-5-en-2-ol
CID 11848710

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-hex-5-ene-2,3-diol?
The IUPAC name of (2R,3R)-hex-5-ene-2,3-diol (CID 10931415) is (2R,3R)-hex-5-ene-2,3-diol.
What is the SMILES notation for (2R,3R)-hex-5-ene-2,3-diol?
The canonical SMILES for (2R,3R)-hex-5-ene-2,3-diol is C=CC[C@@H](O)[C@@H](C)O.
What is the InChIKey of (2R,3R)-hex-5-ene-2,3-diol?
The InChIKey is YWBQIXHJSPEYDQ-PHDIDXHHSA-N. The full InChI is InChI=1S/C6H12O2/c1-3-4-6(8)5(2)7/h3,5-8H,1,4H2,2H3/t5-,6-/m1/s1.
What are the key properties of (2R,3R)-hex-5-ene-2,3-diol?
(2R,3R)-hex-5-ene-2,3-diol has a molecular weight of 116.16 g/mol, XLogP of 0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-hex-5-ene-2,3-diol is sourced from PubChem (CID 10931415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).