2-ethoxy-3-pentoxycyclobutan-1-one

C11H20O3 — CID 104675164

IUPAC2-ethoxy-3-pentoxycyclobutan-1-one
SMILESCCCCCOC1CC(=O)C1OCC
InChIInChI=1S/C11H20O3/c1-3-5-6-7-14-10-8-9(12)11(10)13-4-2/h10-11H,3-8H2,1-2H3
InChIKeyPQKULJVQJMRUHA-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.94
Rot. Bonds7

About 2-ethoxy-3-pentoxycyclobutan-1-one

2-ethoxy-3-pentoxycyclobutan-1-one (PubChem CID 104675164) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-ethoxy-3-pentoxycyclobutan-1-one.

Molecular Properties

Compound Name2-ethoxy-3-pentoxycyclobutan-1-one
PubChem CID104675164
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name2-ethoxy-3-pentoxycyclobutan-1-one
SMILESCCCCCOC1CC(=O)C1OCC
InChIInChI=1S/C11H20O3/c1-3-5-6-7-14-10-8-9(12)11(10)13-4-2/h10-11H,3-8H2,1-2H3
InChIKeyPQKULJVQJMRUHA-UHFFFAOYSA-N
XLogP1.94
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-pentoxycyclobutan-1-one?
The IUPAC name of 2-ethoxy-3-pentoxycyclobutan-1-one (CID 104675164) is 2-ethoxy-3-pentoxycyclobutan-1-one.
What is the SMILES notation for 2-ethoxy-3-pentoxycyclobutan-1-one?
The canonical SMILES for 2-ethoxy-3-pentoxycyclobutan-1-one is CCCCCOC1CC(=O)C1OCC.
What is the InChIKey of 2-ethoxy-3-pentoxycyclobutan-1-one?
The InChIKey is PQKULJVQJMRUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-3-5-6-7-14-10-8-9(12)11(10)13-4-2/h10-11H,3-8H2,1-2H3.
What are the key properties of 2-ethoxy-3-pentoxycyclobutan-1-one?
2-ethoxy-3-pentoxycyclobutan-1-one has a molecular weight of 200.28 g/mol, XLogP of 1.94, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-pentoxycyclobutan-1-one is sourced from PubChem (CID 104675164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).