[3-(5-methoxyfuran-2-yl)oxolan-3-yl] 2,2-dimethylbutanoate

C15H22O5 — CID 158852511

IUPAC[3-(5-methoxyfuran-2-yl)oxolan-3-yl] 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OC1(c2ccc(OC)o2)CCOC1
InChIInChI=1S/C15H22O5/c1-5-14(2,3)13(16)20-15(8-9-18-10-15)11-6-7-12(17-4)19-11/h6-7H,5,8-10H2,1-4H3
InChIKeyMAQYQNPVTSFKNO-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.88
Rot. Bonds5

About [3-(5-methoxyfuran-2-yl)oxolan-3-yl] 2,2-dimethylbutanoate

[3-(5-methoxyfuran-2-yl)oxolan-3-yl] 2,2-dimethylbutanoate (PubChem CID 158852511) has the molecular formula C15H22O5 and a molecular weight of 282.34 g/mol. Its IUPAC name is [3-(5-methoxyfuran-2-yl)oxolan-3-yl] 2,2-dimethylbutanoate.

Molecular Properties

Compound Name[3-(5-methoxyfuran-2-yl)oxolan-3-yl] 2,2-dimethylbutanoate
PubChem CID158852511
Molecular FormulaC15H22O5
Molecular Weight282.34 g/mol
Exact Mass282.15
IUPAC Name[3-(5-methoxyfuran-2-yl)oxolan-3-yl] 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OC1(c2ccc(OC)o2)CCOC1
InChIInChI=1S/C15H22O5/c1-5-14(2,3)13(16)20-15(8-9-18-10-15)11-6-7-12(17-4)19-11/h6-7H,5,8-10H2,1-4H3
InChIKeyMAQYQNPVTSFKNO-UHFFFAOYSA-N
XLogP2.88
TPSA57.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(5-methoxyfuran-2-yl)oxolan-3-yl] 2,2-dimethylbutanoate?
The IUPAC name of [3-(5-methoxyfuran-2-yl)oxolan-3-yl] 2,2-dimethylbutanoate (CID 158852511) is [3-(5-methoxyfuran-2-yl)oxolan-3-yl] 2,2-dimethylbutanoate.
What is the SMILES notation for [3-(5-methoxyfuran-2-yl)oxolan-3-yl] 2,2-dimethylbutanoate?
The canonical SMILES for [3-(5-methoxyfuran-2-yl)oxolan-3-yl] 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OC1(c2ccc(OC)o2)CCOC1.
What is the InChIKey of [3-(5-methoxyfuran-2-yl)oxolan-3-yl] 2,2-dimethylbutanoate?
The InChIKey is MAQYQNPVTSFKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O5/c1-5-14(2,3)13(16)20-15(8-9-18-10-15)11-6-7-12(17-4)19-11/h6-7H,5,8-10H2,1-4H3.
What are the key properties of [3-(5-methoxyfuran-2-yl)oxolan-3-yl] 2,2-dimethylbutanoate?
[3-(5-methoxyfuran-2-yl)oxolan-3-yl] 2,2-dimethylbutanoate has a molecular weight of 282.34 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-methoxyfuran-2-yl)oxolan-3-yl] 2,2-dimethylbutanoate is sourced from PubChem (CID 158852511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).