cyclopent-2-en-1-yl methyl carbonate

C7H10O3 — CID 14932676

IUPACcyclopent-2-en-1-yl methyl carbonate
SMILESCOC(=O)OC1C=CCC1
InChIInChI=1S/C7H10O3/c1-9-7(8)10-6-4-2-3-5-6/h2,4,6H,3,5H2,1H3
InChIKeyYCYQMWIECYIIKT-UHFFFAOYSA-N
MW142.15 g/mol
LogP1.49
Rot. Bonds1

About cyclopent-2-en-1-yl methyl carbonate

cyclopent-2-en-1-yl methyl carbonate (PubChem CID 14932676) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is cyclopent-2-en-1-yl methyl carbonate.

Molecular Properties

Compound Namecyclopent-2-en-1-yl methyl carbonate
PubChem CID14932676
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Namecyclopent-2-en-1-yl methyl carbonate
SMILESCOC(=O)OC1C=CCC1
InChIInChI=1S/C7H10O3/c1-9-7(8)10-6-4-2-3-5-6/h2,4,6H,3,5H2,1H3
InChIKeyYCYQMWIECYIIKT-UHFFFAOYSA-N
XLogP1.49
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 51.49
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 cyclopent-2-en-1-yl methyl carbonate?
The IUPAC name of cyclopent-2-en-1-yl methyl carbonate (CID 14932676) is cyclopent-2-en-1-yl methyl carbonate.
What is the SMILES notation for cyclopent-2-en-1-yl methyl carbonate?
The canonical SMILES for cyclopent-2-en-1-yl methyl carbonate is COC(=O)OC1C=CCC1.
What is the InChIKey of cyclopent-2-en-1-yl methyl carbonate?
The InChIKey is YCYQMWIECYIIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c1-9-7(8)10-6-4-2-3-5-6/h2,4,6H,3,5H2,1H3.
What are the key properties of cyclopent-2-en-1-yl methyl carbonate?
cyclopent-2-en-1-yl methyl carbonate has a molecular weight of 142.15 g/mol, XLogP of 1.49, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopent-2-en-1-yl methyl carbonate is sourced from PubChem (CID 14932676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).