[(Z)-4-methoxycarbonyloxybut-2-enyl] methyl carbonate

C8H12O6 — CID 5354075

IUPAC[(Z)-4-methoxycarbonyloxybut-2-enyl] methyl carbonate
SMILESCOC(=O)OC/C=C\COC(=O)OC
InChIInChI=1S/C8H12O6/c1-11-7(9)13-5-3-4-6-14-8(10)12-2/h3-4H,5-6H2,1-2H3/b4-3-
InChIKeyYNCYZSBUDLGGQA-ARJAWSKDSA-N
MW204.18 g/mol
LogP1.11
Rot. Bonds4

About [(Z)-4-methoxycarbonyloxybut-2-enyl] methyl carbonate

[(Z)-4-methoxycarbonyloxybut-2-enyl] methyl carbonate (PubChem CID 5354075) has the molecular formula C8H12O6 and a molecular weight of 204.18 g/mol. Its IUPAC name is [(Z)-4-methoxycarbonyloxybut-2-enyl] methyl carbonate.

Molecular Properties

Compound Name[(Z)-4-methoxycarbonyloxybut-2-enyl] methyl carbonate
PubChem CID5354075
Molecular FormulaC8H12O6
Molecular Weight204.18 g/mol
Exact Mass204.06
IUPAC Name[(Z)-4-methoxycarbonyloxybut-2-enyl] methyl carbonate
SMILESCOC(=O)OC/C=C\COC(=O)OC
InChIInChI=1S/C8H12O6/c1-11-7(9)13-5-3-4-6-14-8(10)12-2/h3-4H,5-6H2,1-2H3/b4-3-
InChIKeyYNCYZSBUDLGGQA-ARJAWSKDSA-N
XLogP1.11
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.18
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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)-4-methoxycarbonyloxybut-2-enyl] methyl carbonate?
The IUPAC name of [(Z)-4-methoxycarbonyloxybut-2-enyl] methyl carbonate (CID 5354075) is [(Z)-4-methoxycarbonyloxybut-2-enyl] methyl carbonate.
What is the SMILES notation for [(Z)-4-methoxycarbonyloxybut-2-enyl] methyl carbonate?
The canonical SMILES for [(Z)-4-methoxycarbonyloxybut-2-enyl] methyl carbonate is COC(=O)OC/C=C\COC(=O)OC.
What is the InChIKey of [(Z)-4-methoxycarbonyloxybut-2-enyl] methyl carbonate?
The InChIKey is YNCYZSBUDLGGQA-ARJAWSKDSA-N. The full InChI is InChI=1S/C8H12O6/c1-11-7(9)13-5-3-4-6-14-8(10)12-2/h3-4H,5-6H2,1-2H3/b4-3-.
What are the key properties of [(Z)-4-methoxycarbonyloxybut-2-enyl] methyl carbonate?
[(Z)-4-methoxycarbonyloxybut-2-enyl] methyl carbonate has a molecular weight of 204.18 g/mol, XLogP of 1.11, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-4-methoxycarbonyloxybut-2-enyl] methyl carbonate is sourced from PubChem (CID 5354075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).