ethyl 2-methyl-2-(oxetan-3-yl)propanoate

C9H16O3 — CID 170912678

IUPACethyl 2-methyl-2-(oxetan-3-yl)propanoate
SMILESCCOC(=O)C(C)(C)C1COC1
InChIInChI=1S/C9H16O3/c1-4-12-8(10)9(2,3)7-5-11-6-7/h7H,4-6H2,1-3H3
InChIKeyJTKLYDJYCDYTSZ-UHFFFAOYSA-N
MW172.22 g/mol
LogP1.22
Rot. Bonds3

About ethyl 2-methyl-2-(oxetan-3-yl)propanoate

ethyl 2-methyl-2-(oxetan-3-yl)propanoate (PubChem CID 170912678) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is ethyl 2-methyl-2-(oxetan-3-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-methyl-2-(oxetan-3-yl)propanoate
PubChem CID170912678
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Nameethyl 2-methyl-2-(oxetan-3-yl)propanoate
SMILESCCOC(=O)C(C)(C)C1COC1
InChIInChI=1S/C9H16O3/c1-4-12-8(10)9(2,3)7-5-11-6-7/h7H,4-6H2,1-3H3
InChIKeyJTKLYDJYCDYTSZ-UHFFFAOYSA-N
XLogP1.22
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(3-hydroxycyclobutyl)-2-methylpropanoate
CID 135382674
ethyl 2-methyl-2-(3-methylcyclopent-3-en-1-yl)propanoate
CID 58645301
ethyl (2R)-2-cyclohexyl-2-hydroxypropanoate
CID 97047914
ethyl 2-methyl-2-[3-(methylsulfonyloxymethyl)cyclobutyl]propanoate
CID 135382662
ethyl 2-(2-hydroxycyclohexyl)-2-methylpropanoate
CID 165348974
ethyl 2-(ethylamino)-2-methyl-3-(oxetan-3-yloxy)propanoate
CID 102607480
ethyl 2-hydroxy-2-[4-(trifluoromethyl)cyclohexyl]propanoate
CID 79308318
ethyl 3-(oxiran-2-yl)-2,2-bis(oxiran-2-ylmethyl)propanoate
CID 175401857
ethyl 2,2-dimethylpropanoate;hydrochloride
CID 141019550
ethyl 2-hydroxy-2-(4-propan-2-ylcyclohexyl)propanoate
CID 79299326
ethyl 2-cyclopropyl-2-(methylamino)propanoate
CID 60788390
ethyl 2-methyl-2-morpholin-4-ylpropanoate
CID 13022015

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-2-(oxetan-3-yl)propanoate?
The IUPAC name of ethyl 2-methyl-2-(oxetan-3-yl)propanoate (CID 170912678) is ethyl 2-methyl-2-(oxetan-3-yl)propanoate.
What is the SMILES notation for ethyl 2-methyl-2-(oxetan-3-yl)propanoate?
The canonical SMILES for ethyl 2-methyl-2-(oxetan-3-yl)propanoate is CCOC(=O)C(C)(C)C1COC1.
What is the InChIKey of ethyl 2-methyl-2-(oxetan-3-yl)propanoate?
The InChIKey is JTKLYDJYCDYTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-4-12-8(10)9(2,3)7-5-11-6-7/h7H,4-6H2,1-3H3.
What are the key properties of ethyl 2-methyl-2-(oxetan-3-yl)propanoate?
ethyl 2-methyl-2-(oxetan-3-yl)propanoate has a molecular weight of 172.22 g/mol, XLogP of 1.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-2-(oxetan-3-yl)propanoate is sourced from PubChem (CID 170912678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).