3-(2-propan-2-yloxyethoxy)cyclobutan-1-one

C9H16O3 — CID 66368451

IUPAC3-(2-propan-2-yloxyethoxy)cyclobutan-1-one
SMILESCC(C)OCCOC1CC(=O)C1
InChIInChI=1S/C9H16O3/c1-7(2)11-3-4-12-9-5-8(10)6-9/h7,9H,3-6H2,1-2H3
InChIKeyCPWOMUXTMDXWBD-UHFFFAOYSA-N
MW172.22 g/mol
LogP1.16
Rot. Bonds5

About 3-(2-propan-2-yloxyethoxy)cyclobutan-1-one

3-(2-propan-2-yloxyethoxy)cyclobutan-1-one (PubChem CID 66368451) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is 3-(2-propan-2-yloxyethoxy)cyclobutan-1-one.

Molecular Properties

Compound Name3-(2-propan-2-yloxyethoxy)cyclobutan-1-one
PubChem CID66368451
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name3-(2-propan-2-yloxyethoxy)cyclobutan-1-one
SMILESCC(C)OCCOC1CC(=O)C1
InChIInChI=1S/C9H16O3/c1-7(2)11-3-4-12-9-5-8(10)6-9/h7,9H,3-6H2,1-2H3
InChIKeyCPWOMUXTMDXWBD-UHFFFAOYSA-N
XLogP1.16
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.16
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 3-(2-propan-2-yloxyethoxy)cyclobutan-1-one?
The IUPAC name of 3-(2-propan-2-yloxyethoxy)cyclobutan-1-one (CID 66368451) is 3-(2-propan-2-yloxyethoxy)cyclobutan-1-one.
What is the SMILES notation for 3-(2-propan-2-yloxyethoxy)cyclobutan-1-one?
The canonical SMILES for 3-(2-propan-2-yloxyethoxy)cyclobutan-1-one is CC(C)OCCOC1CC(=O)C1.
What is the InChIKey of 3-(2-propan-2-yloxyethoxy)cyclobutan-1-one?
The InChIKey is CPWOMUXTMDXWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-7(2)11-3-4-12-9-5-8(10)6-9/h7,9H,3-6H2,1-2H3.
What are the key properties of 3-(2-propan-2-yloxyethoxy)cyclobutan-1-one?
3-(2-propan-2-yloxyethoxy)cyclobutan-1-one has a molecular weight of 172.22 g/mol, XLogP of 1.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-propan-2-yloxyethoxy)cyclobutan-1-one is sourced from PubChem (CID 66368451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).