ethyl (2-methylcycloprop-2-en-1-yl)methyl carbonate

C8H12O3 — CID 132530196

IUPACethyl (2-methylcycloprop-2-en-1-yl)methyl carbonate
SMILESCCOC(=O)OCC1C=C1C
InChIInChI=1S/C8H12O3/c1-3-10-8(9)11-5-7-4-6(7)2/h4,7H,3,5H2,1-2H3
InChIKeyQNQWIMSPFBKPKX-UHFFFAOYSA-N
MW156.18 g/mol
LogP1.74
Rot. Bonds3

About ethyl (2-methylcycloprop-2-en-1-yl)methyl carbonate

ethyl (2-methylcycloprop-2-en-1-yl)methyl carbonate (PubChem CID 132530196) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is ethyl (2-methylcycloprop-2-en-1-yl)methyl carbonate.

Molecular Properties

Compound Nameethyl (2-methylcycloprop-2-en-1-yl)methyl carbonate
PubChem CID132530196
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Nameethyl (2-methylcycloprop-2-en-1-yl)methyl carbonate
SMILESCCOC(=O)OCC1C=C1C
InChIInChI=1S/C8H12O3/c1-3-10-8(9)11-5-7-4-6(7)2/h4,7H,3,5H2,1-2H3
InChIKeyQNQWIMSPFBKPKX-UHFFFAOYSA-N
XLogP1.74
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze ethyl (2-methylcycloprop-2-en-1-yl)methyl carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl (2-methylcycloprop-2-en-1-yl)methyl carbonate?
The IUPAC name of ethyl (2-methylcycloprop-2-en-1-yl)methyl carbonate (CID 132530196) is ethyl (2-methylcycloprop-2-en-1-yl)methyl carbonate.
What is the SMILES notation for ethyl (2-methylcycloprop-2-en-1-yl)methyl carbonate?
The canonical SMILES for ethyl (2-methylcycloprop-2-en-1-yl)methyl carbonate is CCOC(=O)OCC1C=C1C.
What is the InChIKey of ethyl (2-methylcycloprop-2-en-1-yl)methyl carbonate?
The InChIKey is QNQWIMSPFBKPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-3-10-8(9)11-5-7-4-6(7)2/h4,7H,3,5H2,1-2H3.
What are the key properties of ethyl (2-methylcycloprop-2-en-1-yl)methyl carbonate?
ethyl (2-methylcycloprop-2-en-1-yl)methyl carbonate has a molecular weight of 156.18 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2-methylcycloprop-2-en-1-yl)methyl carbonate is sourced from PubChem (CID 132530196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).