3-ethoxy-2-ethyl-2-methylcyclobutan-1-one

C9H16O2 — CID 65170456

IUPAC3-ethoxy-2-ethyl-2-methylcyclobutan-1-one
SMILESCCOC1CC(=O)C1(C)CC
InChIInChI=1S/C9H16O2/c1-4-9(3)7(10)6-8(9)11-5-2/h8H,4-6H2,1-3H3
InChIKeyIKYGQZWWZQZDNK-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.78
Rot. Bonds3

About 3-ethoxy-2-ethyl-2-methylcyclobutan-1-one

3-ethoxy-2-ethyl-2-methylcyclobutan-1-one (PubChem CID 65170456) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 3-ethoxy-2-ethyl-2-methylcyclobutan-1-one.

Molecular Properties

Compound Name3-ethoxy-2-ethyl-2-methylcyclobutan-1-one
PubChem CID65170456
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name3-ethoxy-2-ethyl-2-methylcyclobutan-1-one
SMILESCCOC1CC(=O)C1(C)CC
InChIInChI=1S/C9H16O2/c1-4-9(3)7(10)6-8(9)11-5-2/h8H,4-6H2,1-3H3
InChIKeyIKYGQZWWZQZDNK-UHFFFAOYSA-N
XLogP1.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2-ethyl-2-methylcyclobutan-1-one?
The IUPAC name of 3-ethoxy-2-ethyl-2-methylcyclobutan-1-one (CID 65170456) is 3-ethoxy-2-ethyl-2-methylcyclobutan-1-one.
What is the SMILES notation for 3-ethoxy-2-ethyl-2-methylcyclobutan-1-one?
The canonical SMILES for 3-ethoxy-2-ethyl-2-methylcyclobutan-1-one is CCOC1CC(=O)C1(C)CC.
What is the InChIKey of 3-ethoxy-2-ethyl-2-methylcyclobutan-1-one?
The InChIKey is IKYGQZWWZQZDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-4-9(3)7(10)6-8(9)11-5-2/h8H,4-6H2,1-3H3.
What are the key properties of 3-ethoxy-2-ethyl-2-methylcyclobutan-1-one?
3-ethoxy-2-ethyl-2-methylcyclobutan-1-one has a molecular weight of 156.22 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-ethyl-2-methylcyclobutan-1-one is sourced from PubChem (CID 65170456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).