cyclooct-4-en-1-yl formate

C9H14O2 — CID 3018951

IUPACcyclooct-4-en-1-yl formate
SMILESO=COC1CCC=CCCC1
InChIInChI=1S/C9H14O2/c10-8-11-9-6-4-2-1-3-5-7-9/h1-2,8-9H,3-7H2
InChIKeyMOODCRUVWQJONR-UHFFFAOYSA-N
MW154.21 g/mol
LogP2.05
Rot. Bonds2

About cyclooct-4-en-1-yl formate

cyclooct-4-en-1-yl formate (PubChem CID 3018951) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is cyclooct-4-en-1-yl formate.

Molecular Properties

Compound Namecyclooct-4-en-1-yl formate
PubChem CID3018951
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Namecyclooct-4-en-1-yl formate
SMILESO=COC1CCC=CCCC1
InChIInChI=1S/C9H14O2/c10-8-11-9-6-4-2-1-3-5-7-9/h1-2,8-9H,3-7H2
InChIKeyMOODCRUVWQJONR-UHFFFAOYSA-N
XLogP2.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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 formate?
The IUPAC name of cyclooct-4-en-1-yl formate (CID 3018951) is cyclooct-4-en-1-yl formate.
What is the SMILES notation for cyclooct-4-en-1-yl formate?
The canonical SMILES for cyclooct-4-en-1-yl formate is O=COC1CCC=CCCC1.
What is the InChIKey of cyclooct-4-en-1-yl formate?
The InChIKey is MOODCRUVWQJONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c10-8-11-9-6-4-2-1-3-5-7-9/h1-2,8-9H,3-7H2.
What are the key properties of cyclooct-4-en-1-yl formate?
cyclooct-4-en-1-yl formate has a molecular weight of 154.21 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclooct-4-en-1-yl formate is sourced from PubChem (CID 3018951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).