cyclooct-4-en-1-yl methyl carbonate

C10H16O3 — CID 54027559

IUPACcyclooct-4-en-1-yl methyl carbonate
SMILESCOC(=O)OC1CCC=CCCC1
InChIInChI=1S/C10H16O3/c1-12-10(11)13-9-7-5-3-2-4-6-8-9/h2-3,9H,4-8H2,1H3
InChIKeyLDHHCYCOENSXIM-UHFFFAOYSA-N
MW184.24 g/mol
LogP2.66
Rot. Bonds1

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

cyclooct-4-en-1-yl methyl carbonate (PubChem CID 54027559) has the molecular formula C10H16O3 and a molecular weight of 184.24 g/mol. Its IUPAC name is cyclooct-4-en-1-yl methyl carbonate.

Molecular Properties

Compound Namecyclooct-4-en-1-yl methyl carbonate
PubChem CID54027559
Molecular FormulaC10H16O3
Molecular Weight184.24 g/mol
Exact Mass184.11
IUPAC Namecyclooct-4-en-1-yl methyl carbonate
SMILESCOC(=O)OC1CCC=CCCC1
InChIInChI=1S/C10H16O3/c1-12-10(11)13-9-7-5-3-2-4-6-8-9/h2-3,9H,4-8H2,1H3
InChIKeyLDHHCYCOENSXIM-UHFFFAOYSA-N
XLogP2.66
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 52.66
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 methyl carbonate?
The IUPAC name of cyclooct-4-en-1-yl methyl carbonate (CID 54027559) is cyclooct-4-en-1-yl methyl carbonate.
What is the SMILES notation for cyclooct-4-en-1-yl methyl carbonate?
The canonical SMILES for cyclooct-4-en-1-yl methyl carbonate is COC(=O)OC1CCC=CCCC1.
What is the InChIKey of cyclooct-4-en-1-yl methyl carbonate?
The InChIKey is LDHHCYCOENSXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-12-10(11)13-9-7-5-3-2-4-6-8-9/h2-3,9H,4-8H2,1H3.
What are the key properties of cyclooct-4-en-1-yl methyl carbonate?
cyclooct-4-en-1-yl methyl carbonate has a molecular weight of 184.24 g/mol, XLogP of 2.66, 1 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 methyl carbonate is sourced from PubChem (CID 54027559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).