[(E)-4-hydroxybut-2-enyl] methyl carbonate

C6H10O4 — CID 102392621

IUPAC[(E)-4-hydroxybut-2-enyl] methyl carbonate
SMILESCOC(=O)OC/C=C/CO
InChIInChI=1S/C6H10O4/c1-9-6(8)10-5-3-2-4-7/h2-3,7H,4-5H2,1H3/b3-2+
InChIKeyMTAXJUIWBBEQAH-NSCUHMNNSA-N
MW146.14 g/mol
LogP0.32
Rot. Bonds3

About [(E)-4-hydroxybut-2-enyl] methyl carbonate

[(E)-4-hydroxybut-2-enyl] methyl carbonate (PubChem CID 102392621) has the molecular formula C6H10O4 and a molecular weight of 146.14 g/mol. Its IUPAC name is [(E)-4-hydroxybut-2-enyl] methyl carbonate.

Molecular Properties

Compound Name[(E)-4-hydroxybut-2-enyl] methyl carbonate
PubChem CID102392621
Molecular FormulaC6H10O4
Molecular Weight146.14 g/mol
Exact Mass146.06
IUPAC Name[(E)-4-hydroxybut-2-enyl] methyl carbonate
SMILESCOC(=O)OC/C=C/CO
InChIInChI=1S/C6H10O4/c1-9-6(8)10-5-3-2-4-7/h2-3,7H,4-5H2,1H3/b3-2+
InChIKeyMTAXJUIWBBEQAH-NSCUHMNNSA-N
XLogP0.32
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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)-4-hydroxybut-2-enyl] methyl carbonate?
The IUPAC name of [(E)-4-hydroxybut-2-enyl] methyl carbonate (CID 102392621) is [(E)-4-hydroxybut-2-enyl] methyl carbonate.
What is the SMILES notation for [(E)-4-hydroxybut-2-enyl] methyl carbonate?
The canonical SMILES for [(E)-4-hydroxybut-2-enyl] methyl carbonate is COC(=O)OC/C=C/CO.
What is the InChIKey of [(E)-4-hydroxybut-2-enyl] methyl carbonate?
The InChIKey is MTAXJUIWBBEQAH-NSCUHMNNSA-N. The full InChI is InChI=1S/C6H10O4/c1-9-6(8)10-5-3-2-4-7/h2-3,7H,4-5H2,1H3/b3-2+.
What are the key properties of [(E)-4-hydroxybut-2-enyl] methyl carbonate?
[(E)-4-hydroxybut-2-enyl] methyl carbonate has a molecular weight of 146.14 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4-hydroxybut-2-enyl] methyl carbonate is sourced from PubChem (CID 102392621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).