cyclooct-4-en-1-yl ethyl carbonate

C11H18O3 — CID 54145787

IUPACcyclooct-4-en-1-yl ethyl carbonate
SMILESCCOC(=O)OC1CCC=CCCC1
InChIInChI=1S/C11H18O3/c1-2-13-11(12)14-10-8-6-4-3-5-7-9-10/h3-4,10H,2,5-9H2,1H3
InChIKeyOEGZMCPXFVOSSG-UHFFFAOYSA-N
MW198.26 g/mol
LogP3.05
Rot. Bonds2

About cyclooct-4-en-1-yl ethyl carbonate

cyclooct-4-en-1-yl ethyl carbonate (PubChem CID 54145787) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is cyclooct-4-en-1-yl ethyl carbonate.

Molecular Properties

Compound Namecyclooct-4-en-1-yl ethyl carbonate
PubChem CID54145787
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Namecyclooct-4-en-1-yl ethyl carbonate
SMILESCCOC(=O)OC1CCC=CCCC1
InChIInChI=1S/C11H18O3/c1-2-13-11(12)14-10-8-6-4-3-5-7-9-10/h3-4,10H,2,5-9H2,1H3
InChIKeyOEGZMCPXFVOSSG-UHFFFAOYSA-N
XLogP3.05
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 cyclooct-4-en-1-yl ethyl carbonate?
The IUPAC name of cyclooct-4-en-1-yl ethyl carbonate (CID 54145787) is cyclooct-4-en-1-yl ethyl carbonate.
What is the SMILES notation for cyclooct-4-en-1-yl ethyl carbonate?
The canonical SMILES for cyclooct-4-en-1-yl ethyl carbonate is CCOC(=O)OC1CCC=CCCC1.
What is the InChIKey of cyclooct-4-en-1-yl ethyl carbonate?
The InChIKey is OEGZMCPXFVOSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-2-13-11(12)14-10-8-6-4-3-5-7-9-10/h3-4,10H,2,5-9H2,1H3.
What are the key properties of cyclooct-4-en-1-yl ethyl carbonate?
cyclooct-4-en-1-yl ethyl carbonate has a molecular weight of 198.26 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclooct-4-en-1-yl ethyl carbonate is sourced from PubChem (CID 54145787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).