4-ethenoxybutyl ethyl carbonate

C9H16O4 — CID 54385222

IUPAC4-ethenoxybutyl ethyl carbonate
SMILESC=COCCCCOC(=O)OCC
InChIInChI=1S/C9H16O4/c1-3-11-7-5-6-8-13-9(10)12-4-2/h3H,1,4-8H2,2H3
InChIKeyVCTABLKNAIZZDS-UHFFFAOYSA-N
MW188.22 g/mol
LogP2.10
Rot. Bonds7

About 4-ethenoxybutyl ethyl carbonate

4-ethenoxybutyl ethyl carbonate (PubChem CID 54385222) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is 4-ethenoxybutyl ethyl carbonate.

Molecular Properties

Compound Name4-ethenoxybutyl ethyl carbonate
PubChem CID54385222
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Name4-ethenoxybutyl ethyl carbonate
SMILESC=COCCCCOC(=O)OCC
InChIInChI=1S/C9H16O4/c1-3-11-7-5-6-8-13-9(10)12-4-2/h3H,1,4-8H2,2H3
InChIKeyVCTABLKNAIZZDS-UHFFFAOYSA-N
XLogP2.10
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethenoxybutyl ethyl carbonate?
The IUPAC name of 4-ethenoxybutyl ethyl carbonate (CID 54385222) is 4-ethenoxybutyl ethyl carbonate.
What is the SMILES notation for 4-ethenoxybutyl ethyl carbonate?
The canonical SMILES for 4-ethenoxybutyl ethyl carbonate is C=COCCCCOC(=O)OCC.
What is the InChIKey of 4-ethenoxybutyl ethyl carbonate?
The InChIKey is VCTABLKNAIZZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4/c1-3-11-7-5-6-8-13-9(10)12-4-2/h3H,1,4-8H2,2H3.
What are the key properties of 4-ethenoxybutyl ethyl carbonate?
4-ethenoxybutyl ethyl carbonate has a molecular weight of 188.22 g/mol, XLogP of 2.10, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenoxybutyl ethyl carbonate is sourced from PubChem (CID 54385222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).