ethyl 2-(oxan-4-yl)propanoate

C10H18O3 — CID 67078268

IUPACethyl 2-(oxan-4-yl)propanoate
SMILESCCOC(=O)C(C)C1CCOCC1
InChIInChI=1S/C10H18O3/c1-3-13-10(11)8(2)9-4-6-12-7-5-9/h8-9H,3-7H2,1-2H3
InChIKeyBZQJYCUZVIJNJJ-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.61
Rot. Bonds3

About ethyl 2-(oxan-4-yl)propanoate

ethyl 2-(oxan-4-yl)propanoate (PubChem CID 67078268) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is ethyl 2-(oxan-4-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-(oxan-4-yl)propanoate
PubChem CID67078268
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Nameethyl 2-(oxan-4-yl)propanoate
SMILESCCOC(=O)C(C)C1CCOCC1
InChIInChI=1S/C10H18O3/c1-3-13-10(11)8(2)9-4-6-12-7-5-9/h8-9H,3-7H2,1-2H3
InChIKeyBZQJYCUZVIJNJJ-UHFFFAOYSA-N
XLogP1.61
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(oxan-4-yl)propanoate?
The IUPAC name of ethyl 2-(oxan-4-yl)propanoate (CID 67078268) is ethyl 2-(oxan-4-yl)propanoate.
What is the SMILES notation for ethyl 2-(oxan-4-yl)propanoate?
The canonical SMILES for ethyl 2-(oxan-4-yl)propanoate is CCOC(=O)C(C)C1CCOCC1.
What is the InChIKey of ethyl 2-(oxan-4-yl)propanoate?
The InChIKey is BZQJYCUZVIJNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-3-13-10(11)8(2)9-4-6-12-7-5-9/h8-9H,3-7H2,1-2H3.
What are the key properties of ethyl 2-(oxan-4-yl)propanoate?
ethyl 2-(oxan-4-yl)propanoate has a molecular weight of 186.25 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(oxan-4-yl)propanoate is sourced from PubChem (CID 67078268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).