bis(2-ethenyloxan-2-yl) carbonate

C15H22O5 — CID 139919531

IUPACbis(2-ethenyloxan-2-yl) carbonate
SMILESC=CC1(OC(=O)OC2(C=C)CCCCO2)CCCCO1
InChIInChI=1S/C15H22O5/c1-3-14(9-5-7-11-17-14)19-13(16)20-15(4-2)10-6-8-12-18-15/h3-4H,1-2,5-12H2
InChIKeyNBFFLCCIWIIAQV-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.31
Rot. Bonds4

About bis(2-ethenyloxan-2-yl) carbonate

bis(2-ethenyloxan-2-yl) carbonate (PubChem CID 139919531) has the molecular formula C15H22O5 and a molecular weight of 282.34 g/mol. Its IUPAC name is bis(2-ethenyloxan-2-yl) carbonate.

Molecular Properties

Compound Namebis(2-ethenyloxan-2-yl) carbonate
PubChem CID139919531
Molecular FormulaC15H22O5
Molecular Weight282.34 g/mol
Exact Mass282.15
IUPAC Namebis(2-ethenyloxan-2-yl) carbonate
SMILESC=CC1(OC(=O)OC2(C=C)CCCCO2)CCCCO1
InChIInChI=1S/C15H22O5/c1-3-14(9-5-7-11-17-14)19-13(16)20-15(4-2)10-6-8-12-18-15/h3-4H,1-2,5-12H2
InChIKeyNBFFLCCIWIIAQV-UHFFFAOYSA-N
XLogP3.31
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 bis(2-ethenyloxan-2-yl) carbonate?
The IUPAC name of bis(2-ethenyloxan-2-yl) carbonate (CID 139919531) is bis(2-ethenyloxan-2-yl) carbonate.
What is the SMILES notation for bis(2-ethenyloxan-2-yl) carbonate?
The canonical SMILES for bis(2-ethenyloxan-2-yl) carbonate is C=CC1(OC(=O)OC2(C=C)CCCCO2)CCCCO1.
What is the InChIKey of bis(2-ethenyloxan-2-yl) carbonate?
The InChIKey is NBFFLCCIWIIAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O5/c1-3-14(9-5-7-11-17-14)19-13(16)20-15(4-2)10-6-8-12-18-15/h3-4H,1-2,5-12H2.
What are the key properties of bis(2-ethenyloxan-2-yl) carbonate?
bis(2-ethenyloxan-2-yl) carbonate has a molecular weight of 282.34 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-ethenyloxan-2-yl) carbonate is sourced from PubChem (CID 139919531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).