2-(3-methoxy-5-oxooxolan-3-yl)propan-2-yl 2,2-dimethylbutanoate

C14H24O5 — CID 23561928

IUPAC2-(3-methoxy-5-oxooxolan-3-yl)propan-2-yl 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OC(C)(C)C1(OC)COC(=O)C1
InChIInChI=1S/C14H24O5/c1-7-12(2,3)11(16)19-13(4,5)14(17-6)8-10(15)18-9-14/h7-9H2,1-6H3
InChIKeyCUECNPHXBUIZGW-UHFFFAOYSA-N
MW272.34 g/mol
LogP2.08
Rot. Bonds5

About 2-(3-methoxy-5-oxooxolan-3-yl)propan-2-yl 2,2-dimethylbutanoate

2-(3-methoxy-5-oxooxolan-3-yl)propan-2-yl 2,2-dimethylbutanoate (PubChem CID 23561928) has the molecular formula C14H24O5 and a molecular weight of 272.34 g/mol. Its IUPAC name is 2-(3-methoxy-5-oxooxolan-3-yl)propan-2-yl 2,2-dimethylbutanoate.

Molecular Properties

Compound Name2-(3-methoxy-5-oxooxolan-3-yl)propan-2-yl 2,2-dimethylbutanoate
PubChem CID23561928
Molecular FormulaC14H24O5
Molecular Weight272.34 g/mol
Exact Mass272.16
IUPAC Name2-(3-methoxy-5-oxooxolan-3-yl)propan-2-yl 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OC(C)(C)C1(OC)COC(=O)C1
InChIInChI=1S/C14H24O5/c1-7-12(2,3)11(16)19-13(4,5)14(17-6)8-10(15)18-9-14/h7-9H2,1-6H3
InChIKeyCUECNPHXBUIZGW-UHFFFAOYSA-N
XLogP2.08
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-oxooxan-4-yl)butan-2-yl 2,2-dimethylbutanoate
CID 23561942
(3-methyl-5-oxooxolan-3-yl) 2-iodo-2-methylbutanoate
CID 129121603
2-(1-bicyclo[2.2.1]heptanyl)propan-2-yl 2,2-dimethylbutanoate
CID 129085447
2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate
CID 91176528
[1-(4,4-dimethyl-2-oxooxolan-3-yl)oxy-2-methyl-1-oxopropan-2-yl] 2,2-dimethylbutanoate
CID 20686217
(3,4,4-trimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate
CID 121368423
3-methylpentan-3-yl 2,2-dimethylbutanoate
CID 22895611
(4,4-dimethyl-2-oxooxolan-3-yl) 2,2-dimethylbutanoate;ethane
CID 144704866
(2',10-dioxospiro[3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecane-4,4'-oxolane]-9-yl) 2,2-dimethylbutanoate
CID 58445669
ditert-butyl 5-[2-(2,2-dimethylbutanoyloxy)propan-2-yl]adamantane-1,3-dicarboxylate
CID 71176516
(3-ethyl-2-methyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate
CID 118546509
2-(2-methyloxiran-2-yl)ethyl 2,2-dimethylbutanoate
CID 23517797

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-5-oxooxolan-3-yl)propan-2-yl 2,2-dimethylbutanoate?
The IUPAC name of 2-(3-methoxy-5-oxooxolan-3-yl)propan-2-yl 2,2-dimethylbutanoate (CID 23561928) is 2-(3-methoxy-5-oxooxolan-3-yl)propan-2-yl 2,2-dimethylbutanoate.
What is the SMILES notation for 2-(3-methoxy-5-oxooxolan-3-yl)propan-2-yl 2,2-dimethylbutanoate?
The canonical SMILES for 2-(3-methoxy-5-oxooxolan-3-yl)propan-2-yl 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OC(C)(C)C1(OC)COC(=O)C1.
What is the InChIKey of 2-(3-methoxy-5-oxooxolan-3-yl)propan-2-yl 2,2-dimethylbutanoate?
The InChIKey is CUECNPHXBUIZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O5/c1-7-12(2,3)11(16)19-13(4,5)14(17-6)8-10(15)18-9-14/h7-9H2,1-6H3.
What are the key properties of 2-(3-methoxy-5-oxooxolan-3-yl)propan-2-yl 2,2-dimethylbutanoate?
2-(3-methoxy-5-oxooxolan-3-yl)propan-2-yl 2,2-dimethylbutanoate has a molecular weight of 272.34 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-5-oxooxolan-3-yl)propan-2-yl 2,2-dimethylbutanoate is sourced from PubChem (CID 23561928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).