(Z)-1-methoxybut-1-ene-2,3-diol

C5H10O3 — CID 129027390

IUPAC(Z)-1-methoxybut-1-ene-2,3-diol
SMILESCO/C=C(\O)C(C)O
InChIInChI=1S/C5H10O3/c1-4(6)5(7)3-8-2/h3-4,6-7H,1-2H3/b5-3-
InChIKeyOCCVPRPFHGTQDG-HYXAFXHYSA-N
MW118.13 g/mol
LogP0.41
Rot. Bonds2

About (Z)-1-methoxybut-1-ene-2,3-diol

(Z)-1-methoxybut-1-ene-2,3-diol (PubChem CID 129027390) has the molecular formula C5H10O3 and a molecular weight of 118.13 g/mol. Its IUPAC name is (Z)-1-methoxybut-1-ene-2,3-diol.

Molecular Properties

Compound Name(Z)-1-methoxybut-1-ene-2,3-diol
PubChem CID129027390
Molecular FormulaC5H10O3
Molecular Weight118.13 g/mol
Exact Mass118.06
IUPAC Name(Z)-1-methoxybut-1-ene-2,3-diol
SMILESCO/C=C(\O)C(C)O
InChIInChI=1S/C5H10O3/c1-4(6)5(7)3-8-2/h3-4,6-7H,1-2H3/b5-3-
InChIKeyOCCVPRPFHGTQDG-HYXAFXHYSA-N
XLogP0.41
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.13
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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)-1-methoxybut-1-ene-2,3-diol?
The IUPAC name of (Z)-1-methoxybut-1-ene-2,3-diol (CID 129027390) is (Z)-1-methoxybut-1-ene-2,3-diol.
What is the SMILES notation for (Z)-1-methoxybut-1-ene-2,3-diol?
The canonical SMILES for (Z)-1-methoxybut-1-ene-2,3-diol is CO/C=C(\O)C(C)O.
What is the InChIKey of (Z)-1-methoxybut-1-ene-2,3-diol?
The InChIKey is OCCVPRPFHGTQDG-HYXAFXHYSA-N. The full InChI is InChI=1S/C5H10O3/c1-4(6)5(7)3-8-2/h3-4,6-7H,1-2H3/b5-3-.
What are the key properties of (Z)-1-methoxybut-1-ene-2,3-diol?
(Z)-1-methoxybut-1-ene-2,3-diol has a molecular weight of 118.13 g/mol, XLogP of 0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-methoxybut-1-ene-2,3-diol is sourced from PubChem (CID 129027390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).