ethyl 3-(3-oxocyclobutyl)propanoate

C9H14O3 — CID 67775333

IUPACethyl 3-(3-oxocyclobutyl)propanoate
SMILESCCOC(=O)CCC1CC(=O)C1
InChIInChI=1S/C9H14O3/c1-2-12-9(11)4-3-7-5-8(10)6-7/h7H,2-6H2,1H3
InChIKeyBTDQXRFPXRGREK-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.31
Rot. Bonds4

About ethyl 3-(3-oxocyclobutyl)propanoate

ethyl 3-(3-oxocyclobutyl)propanoate (PubChem CID 67775333) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is ethyl 3-(3-oxocyclobutyl)propanoate.

Molecular Properties

Compound Nameethyl 3-(3-oxocyclobutyl)propanoate
PubChem CID67775333
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Nameethyl 3-(3-oxocyclobutyl)propanoate
SMILESCCOC(=O)CCC1CC(=O)C1
InChIInChI=1S/C9H14O3/c1-2-12-9(11)4-3-7-5-8(10)6-7/h7H,2-6H2,1H3
InChIKeyBTDQXRFPXRGREK-UHFFFAOYSA-N
XLogP1.31
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3-oxocyclobutyl)propanoate?
The IUPAC name of ethyl 3-(3-oxocyclobutyl)propanoate (CID 67775333) is ethyl 3-(3-oxocyclobutyl)propanoate.
What is the SMILES notation for ethyl 3-(3-oxocyclobutyl)propanoate?
The canonical SMILES for ethyl 3-(3-oxocyclobutyl)propanoate is CCOC(=O)CCC1CC(=O)C1.
What is the InChIKey of ethyl 3-(3-oxocyclobutyl)propanoate?
The InChIKey is BTDQXRFPXRGREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c1-2-12-9(11)4-3-7-5-8(10)6-7/h7H,2-6H2,1H3.
What are the key properties of ethyl 3-(3-oxocyclobutyl)propanoate?
ethyl 3-(3-oxocyclobutyl)propanoate has a molecular weight of 170.21 g/mol, XLogP of 1.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3-oxocyclobutyl)propanoate is sourced from PubChem (CID 67775333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).