ethyl [(Z)-4-(oxan-2-yloxy)but-2-enyl] carbonate

C12H20O5 — CID 134859271

IUPACethyl [(Z)-4-(oxan-2-yloxy)but-2-enyl] carbonate
SMILESCCOC(=O)OC/C=C\COC1CCCCO1
InChIInChI=1S/C12H20O5/c1-2-14-12(13)17-10-6-5-9-16-11-7-3-4-8-15-11/h5-6,11H,2-4,7-10H2,1H3/b6-5-
InChIKeyMTGBOYMVVWGUAB-WAYWQWQTSA-N
MW244.29 g/mol
LogP2.26
Rot. Bonds6

About ethyl [(Z)-4-(oxan-2-yloxy)but-2-enyl] carbonate

ethyl [(Z)-4-(oxan-2-yloxy)but-2-enyl] carbonate (PubChem CID 134859271) has the molecular formula C12H20O5 and a molecular weight of 244.29 g/mol. Its IUPAC name is ethyl [(Z)-4-(oxan-2-yloxy)but-2-enyl] carbonate.

Molecular Properties

Compound Nameethyl [(Z)-4-(oxan-2-yloxy)but-2-enyl] carbonate
PubChem CID134859271
Molecular FormulaC12H20O5
Molecular Weight244.29 g/mol
Exact Mass244.13
IUPAC Nameethyl [(Z)-4-(oxan-2-yloxy)but-2-enyl] carbonate
SMILESCCOC(=O)OC/C=C\COC1CCCCO1
InChIInChI=1S/C12H20O5/c1-2-14-12(13)17-10-6-5-9-16-11-7-3-4-8-15-11/h5-6,11H,2-4,7-10H2,1H3/b6-5-
InChIKeyMTGBOYMVVWGUAB-WAYWQWQTSA-N
XLogP2.26
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-but-2-enoxy]oxane
CID 11788432
2-[(E)-2-methylbut-2-enoxy]tetrahydropyran
CID 12623536
2-[(Z)-3-fluorobut-2-enoxy]oxane
CID 90381677
2-[(E)-3-fluorobut-2-enoxy]oxane
CID 90381688
2-Butenoic acid, 4-(tetrahydro-2H-pyran-2-yloxy)-, methyl ester
CID 5367955
ethyl (E)-3-methyl-4-(oxan-2-yloxy)but-2-enoate
CID 11107104
2-(5-Prop-2-enoxypentoxy)oxane
CID 10900391
ethyl (2E,4E,6E,8E)-10-(oxan-2-yloxy)deca-2,4,6,8-tetraenoate
CID 11483205
2-[(Z)-2-methylbut-2-enoxy]oxane
CID 12623535
2-[(Z)-4-(oxan-2-yloxy)but-2-enoxy]oxane
CID 14103519
2-[(2E)-penta-2,4-dienoxy]-tetrahydro-pyran
CID 24977138
2-[(Z)-4-[(methylthio)methoxy]but-2-enoxy]tetrahydropyran
CID 24978270

Frequently Asked Questions

What is the IUPAC name of ethyl [(Z)-4-(oxan-2-yloxy)but-2-enyl] carbonate?
The IUPAC name of ethyl [(Z)-4-(oxan-2-yloxy)but-2-enyl] carbonate (CID 134859271) is ethyl [(Z)-4-(oxan-2-yloxy)but-2-enyl] carbonate.
What is the SMILES notation for ethyl [(Z)-4-(oxan-2-yloxy)but-2-enyl] carbonate?
The canonical SMILES for ethyl [(Z)-4-(oxan-2-yloxy)but-2-enyl] carbonate is CCOC(=O)OC/C=C\COC1CCCCO1.
What is the InChIKey of ethyl [(Z)-4-(oxan-2-yloxy)but-2-enyl] carbonate?
The InChIKey is MTGBOYMVVWGUAB-WAYWQWQTSA-N. The full InChI is InChI=1S/C12H20O5/c1-2-14-12(13)17-10-6-5-9-16-11-7-3-4-8-15-11/h5-6,11H,2-4,7-10H2,1H3/b6-5-.
What are the key properties of ethyl [(Z)-4-(oxan-2-yloxy)but-2-enyl] carbonate?
ethyl [(Z)-4-(oxan-2-yloxy)but-2-enyl] carbonate has a molecular weight of 244.29 g/mol, XLogP of 2.26, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl [(Z)-4-(oxan-2-yloxy)but-2-enyl] carbonate is sourced from PubChem (CID 134859271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).