(Z)-hex-2-ene-2,5-diol

C6H12O2 — CID 12871463

IUPAC(Z)-hex-2-ene-2,5-diol
SMILESC/C(O)=C/CC(C)O
InChIInChI=1S/C6H12O2/c1-5(7)3-4-6(2)8/h3,6-8H,4H2,1-2H3/b5-3-
InChIKeyAFALXOCQEVQFBH-HYXAFXHYSA-N
MW116.16 g/mol
LogP1.22
Rot. Bonds2

About (Z)-hex-2-ene-2,5-diol

(Z)-hex-2-ene-2,5-diol (PubChem CID 12871463) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is (Z)-hex-2-ene-2,5-diol.

Molecular Properties

Compound Name(Z)-hex-2-ene-2,5-diol
PubChem CID12871463
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name(Z)-hex-2-ene-2,5-diol
SMILESC/C(O)=C/CC(C)O
InChIInChI=1S/C6H12O2/c1-5(7)3-4-6(2)8/h3,6-8H,4H2,1-2H3/b5-3-
InChIKeyAFALXOCQEVQFBH-HYXAFXHYSA-N
XLogP1.22
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-hex-2-ene-2,5-diol?
The IUPAC name of (Z)-hex-2-ene-2,5-diol (CID 12871463) is (Z)-hex-2-ene-2,5-diol.
What is the SMILES notation for (Z)-hex-2-ene-2,5-diol?
The canonical SMILES for (Z)-hex-2-ene-2,5-diol is C/C(O)=C/CC(C)O.
What is the InChIKey of (Z)-hex-2-ene-2,5-diol?
The InChIKey is AFALXOCQEVQFBH-HYXAFXHYSA-N. The full InChI is InChI=1S/C6H12O2/c1-5(7)3-4-6(2)8/h3,6-8H,4H2,1-2H3/b5-3-.
What are the key properties of (Z)-hex-2-ene-2,5-diol?
(Z)-hex-2-ene-2,5-diol has a molecular weight of 116.16 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-hex-2-ene-2,5-diol is sourced from PubChem (CID 12871463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).