(E)-hex-2-ene-1,4-diol

C6H12O2 — CID 12778444

IUPAC(E)-hex-2-ene-1,4-diol
SMILESCCC(O)/C=C/CO
InChIInChI=1S/C6H12O2/c1-2-6(8)4-3-5-7/h3-4,6-8H,2,5H2,1H3/b4-3+
InChIKeyWPLHQARBFZMPTI-ONEGZZNKSA-N
MW116.16 g/mol
LogP0.31
Rot. Bonds3

About (E)-hex-2-ene-1,4-diol

(E)-hex-2-ene-1,4-diol (PubChem CID 12778444) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is (E)-hex-2-ene-1,4-diol.

Molecular Properties

Compound Name(E)-hex-2-ene-1,4-diol
PubChem CID12778444
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name(E)-hex-2-ene-1,4-diol
SMILESCCC(O)/C=C/CO
InChIInChI=1S/C6H12O2/c1-2-6(8)4-3-5-7/h3-4,6-8H,2,5H2,1H3/b4-3+
InChIKeyWPLHQARBFZMPTI-ONEGZZNKSA-N
XLogP0.31
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 ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-hex-2-ene-1,4-diol?
The IUPAC name of (E)-hex-2-ene-1,4-diol (CID 12778444) is (E)-hex-2-ene-1,4-diol.
What is the SMILES notation for (E)-hex-2-ene-1,4-diol?
The canonical SMILES for (E)-hex-2-ene-1,4-diol is CCC(O)/C=C/CO.
What is the InChIKey of (E)-hex-2-ene-1,4-diol?
The InChIKey is WPLHQARBFZMPTI-ONEGZZNKSA-N. The full InChI is InChI=1S/C6H12O2/c1-2-6(8)4-3-5-7/h3-4,6-8H,2,5H2,1H3/b4-3+.
What are the key properties of (E)-hex-2-ene-1,4-diol?
(E)-hex-2-ene-1,4-diol has a molecular weight of 116.16 g/mol, XLogP of 0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-hex-2-ene-1,4-diol is sourced from PubChem (CID 12778444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).