(Z)-2-methylbut-2-ene-1,4-diol

C5H10O2 — CID 12778451

IUPAC(Z)-2-methylbut-2-ene-1,4-diol
SMILESC/C(=C/CO)CO
InChIInChI=1S/C5H10O2/c1-5(4-7)2-3-6/h2,6-7H,3-4H2,1H3/b5-2-
InChIKeyFLXLJBCLEUWWCG-DJWKRKHSSA-N
MW102.13 g/mol
LogP-0.08
Rot. Bonds2

About (Z)-2-methylbut-2-ene-1,4-diol

(Z)-2-methylbut-2-ene-1,4-diol (PubChem CID 12778451) has the molecular formula C5H10O2 and a molecular weight of 102.13 g/mol. Its IUPAC name is (Z)-2-methylbut-2-ene-1,4-diol.

Molecular Properties

Compound Name(Z)-2-methylbut-2-ene-1,4-diol
PubChem CID12778451
Molecular FormulaC5H10O2
Molecular Weight102.13 g/mol
Exact Mass102.07
IUPAC Name(Z)-2-methylbut-2-ene-1,4-diol
SMILESC/C(=C/CO)CO
InChIInChI=1S/C5H10O2/c1-5(4-7)2-3-6/h2,6-7H,3-4H2,1H3/b5-2-
InChIKeyFLXLJBCLEUWWCG-DJWKRKHSSA-N
XLogP-0.08
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.13
LogP ≤ 5-0.08
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 (Z)-2-methylbut-2-ene-1,4-diol?
The IUPAC name of (Z)-2-methylbut-2-ene-1,4-diol (CID 12778451) is (Z)-2-methylbut-2-ene-1,4-diol.
What is the SMILES notation for (Z)-2-methylbut-2-ene-1,4-diol?
The canonical SMILES for (Z)-2-methylbut-2-ene-1,4-diol is C/C(=C/CO)CO.
What is the InChIKey of (Z)-2-methylbut-2-ene-1,4-diol?
The InChIKey is FLXLJBCLEUWWCG-DJWKRKHSSA-N. The full InChI is InChI=1S/C5H10O2/c1-5(4-7)2-3-6/h2,6-7H,3-4H2,1H3/b5-2-.
What are the key properties of (Z)-2-methylbut-2-ene-1,4-diol?
(Z)-2-methylbut-2-ene-1,4-diol has a molecular weight of 102.13 g/mol, XLogP of -0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methylbut-2-ene-1,4-diol is sourced from PubChem (CID 12778451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).