3-(2-butoxyethoxy)-2,2-dimethylcyclobutan-1-one

C12H22O3 — CID 66366208

IUPAC3-(2-butoxyethoxy)-2,2-dimethylcyclobutan-1-one
SMILESCCCCOCCOC1CC(=O)C1(C)C
InChIInChI=1S/C12H22O3/c1-4-5-6-14-7-8-15-11-9-10(13)12(11,2)3/h11H,4-9H2,1-3H3
InChIKeyPDRZMGKDFDIIQI-UHFFFAOYSA-N
MW214.30 g/mol
LogP2.19
Rot. Bonds7

About 3-(2-butoxyethoxy)-2,2-dimethylcyclobutan-1-one

3-(2-butoxyethoxy)-2,2-dimethylcyclobutan-1-one (PubChem CID 66366208) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is 3-(2-butoxyethoxy)-2,2-dimethylcyclobutan-1-one.

Molecular Properties

Compound Name3-(2-butoxyethoxy)-2,2-dimethylcyclobutan-1-one
PubChem CID66366208
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name3-(2-butoxyethoxy)-2,2-dimethylcyclobutan-1-one
SMILESCCCCOCCOC1CC(=O)C1(C)C
InChIInChI=1S/C12H22O3/c1-4-5-6-14-7-8-15-11-9-10(13)12(11,2)3/h11H,4-9H2,1-3H3
InChIKeyPDRZMGKDFDIIQI-UHFFFAOYSA-N
XLogP2.19
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(2-butoxyethoxy)-2,2-dimethylcyclobutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3,3-dimethylbutoxy)-2,2-dimethylcyclobutan-1-one
CID 66366862
3-bromo-1-(2-butoxyethoxy)spiro[3.4]octane
CID 66344695
3-(2-butoxyethoxy)-2-(2-methoxyethoxy)cyclobutan-1-one
CID 114032115
1-heptoxyspiro[3.5]nonan-3-one
CID 66369074
1-(2-ethoxyethoxy)spiro[3.4]octan-3-one
CID 66367213
2-butoxyethoxycyclobutane
CID 150038799
(3R)-2,2-dimethyl-3-phenylmethoxycyclobutan-1-one
CID 97041960
4-(2-butoxyethyl)oxetan-2-one
CID 159363053
(3aS,6S,6aR,7R,9aS,9bR)-7-butoxy-6a-hydroxy-6,9a-dimethyl-3-methylidene-4,5,6,7,8,9b-hexahydro-3aH-azuleno[8,7-b]furan-2,9-dione
CID 45270289
3-(2-propoxyethoxy)cyclohexan-1-one
CID 79618382
3-(4-ethylphenoxy)-2,2-dimethylcyclobutan-1-one
CID 66368834
1-[2-(2-butoxyethylperoxy)ethoxy]butane
CID 19809275

Frequently Asked Questions

What is the IUPAC name of 3-(2-butoxyethoxy)-2,2-dimethylcyclobutan-1-one?
The IUPAC name of 3-(2-butoxyethoxy)-2,2-dimethylcyclobutan-1-one (CID 66366208) is 3-(2-butoxyethoxy)-2,2-dimethylcyclobutan-1-one.
What is the SMILES notation for 3-(2-butoxyethoxy)-2,2-dimethylcyclobutan-1-one?
The canonical SMILES for 3-(2-butoxyethoxy)-2,2-dimethylcyclobutan-1-one is CCCCOCCOC1CC(=O)C1(C)C.
What is the InChIKey of 3-(2-butoxyethoxy)-2,2-dimethylcyclobutan-1-one?
The InChIKey is PDRZMGKDFDIIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-4-5-6-14-7-8-15-11-9-10(13)12(11,2)3/h11H,4-9H2,1-3H3.
What are the key properties of 3-(2-butoxyethoxy)-2,2-dimethylcyclobutan-1-one?
3-(2-butoxyethoxy)-2,2-dimethylcyclobutan-1-one has a molecular weight of 214.30 g/mol, XLogP of 2.19, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-butoxyethoxy)-2,2-dimethylcyclobutan-1-one is sourced from PubChem (CID 66366208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).