ethyl propyl carbonate

C6H12O3 — CID 6420966

IUPACethyl propyl carbonate
SMILESCCCOC(=O)OCC
InChIInChI=1S/C6H12O3/c1-3-5-9-6(7)8-4-2/h3-5H2,1-2H3
InChIKeyCYEDOLFRAIXARV-UHFFFAOYSA-N
MW132.16 g/mol
LogP1.57
Rot. Bonds3

About ethyl propyl carbonate

ethyl propyl carbonate (PubChem CID 6420966) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is ethyl propyl carbonate.

Molecular Properties

Compound Nameethyl propyl carbonate
PubChem CID6420966
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Nameethyl propyl carbonate
SMILESCCCOC(=O)OCC
InChIInChI=1S/C6H12O3/c1-3-5-9-6(7)8-4-2/h3-5H2,1-2H3
InChIKeyCYEDOLFRAIXARV-UHFFFAOYSA-N
XLogP1.57
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl propyl carbonate?
The IUPAC name of ethyl propyl carbonate (CID 6420966) is ethyl propyl carbonate.
What is the SMILES notation for ethyl propyl carbonate?
The canonical SMILES for ethyl propyl carbonate is CCCOC(=O)OCC.
What is the InChIKey of ethyl propyl carbonate?
The InChIKey is CYEDOLFRAIXARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3/c1-3-5-9-6(7)8-4-2/h3-5H2,1-2H3.
What are the key properties of ethyl propyl carbonate?
ethyl propyl carbonate has a molecular weight of 132.16 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl propyl carbonate is sourced from PubChem (CID 6420966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).