ethenyl propyl carbonate

C6H10O3 — CID 22267068

IUPACethenyl propyl carbonate
SMILESC=COC(=O)OCCC
InChIInChI=1S/C6H10O3/c1-3-5-9-6(7)8-4-2/h4H,2-3,5H2,1H3
InChIKeyUJOLYBGCVQJVLI-UHFFFAOYSA-N
MW130.14 g/mol
LogP1.69
Rot. Bonds3

About ethenyl propyl carbonate

ethenyl propyl carbonate (PubChem CID 22267068) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is ethenyl propyl carbonate.

Molecular Properties

Compound Nameethenyl propyl carbonate
PubChem CID22267068
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Nameethenyl propyl carbonate
SMILESC=COC(=O)OCCC
InChIInChI=1S/C6H10O3/c1-3-5-9-6(7)8-4-2/h4H,2-3,5H2,1H3
InChIKeyUJOLYBGCVQJVLI-UHFFFAOYSA-N
XLogP1.69
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethenyl propyl carbonate?
The IUPAC name of ethenyl propyl carbonate (CID 22267068) is ethenyl propyl carbonate.
What is the SMILES notation for ethenyl propyl carbonate?
The canonical SMILES for ethenyl propyl carbonate is C=COC(=O)OCCC.
What is the InChIKey of ethenyl propyl carbonate?
The InChIKey is UJOLYBGCVQJVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3/c1-3-5-9-6(7)8-4-2/h4H,2-3,5H2,1H3.
What are the key properties of ethenyl propyl carbonate?
ethenyl propyl carbonate has a molecular weight of 130.14 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl propyl carbonate is sourced from PubChem (CID 22267068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).