(2,3-dimethoxy-5-oxo-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-6-yl) 2,2-dimethylbutanoate

C14H22O7 — CID 59711497

IUPAC(2,3-dimethoxy-5-oxo-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-6-yl) 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OC1C(=O)OC2C(OC)C(OC)OC12
InChIInChI=1S/C14H22O7/c1-6-14(2,3)13(16)21-9-7-8(19-11(9)15)10(17-4)12(18-5)20-7/h7-10,12H,6H2,1-5H3
InChIKeyKJKYHTRUJDZHRW-UHFFFAOYSA-N
MW302.32 g/mol
LogP0.65
Rot. Bonds5

About (2,3-dimethoxy-5-oxo-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-6-yl) 2,2-dimethylbutanoate

(2,3-dimethoxy-5-oxo-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-6-yl) 2,2-dimethylbutanoate (PubChem CID 59711497) has the molecular formula C14H22O7 and a molecular weight of 302.32 g/mol. Its IUPAC name is (2,3-dimethoxy-5-oxo-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-6-yl) 2,2-dimethylbutanoate.

Molecular Properties

Compound Name(2,3-dimethoxy-5-oxo-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-6-yl) 2,2-dimethylbutanoate
PubChem CID59711497
Molecular FormulaC14H22O7
Molecular Weight302.32 g/mol
Exact Mass302.14
IUPAC Name(2,3-dimethoxy-5-oxo-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-6-yl) 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OC1C(=O)OC2C(OC)C(OC)OC12
InChIInChI=1S/C14H22O7/c1-6-14(2,3)13(16)21-9-7-8(19-11(9)15)10(17-4)12(18-5)20-7/h7-10,12H,6H2,1-5H3
InChIKeyKJKYHTRUJDZHRW-UHFFFAOYSA-N
XLogP0.65
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.32
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2,3-dimethoxy-5-oxo-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-6-yl) 2,2-dimethylbutanoate?
The IUPAC name of (2,3-dimethoxy-5-oxo-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-6-yl) 2,2-dimethylbutanoate (CID 59711497) is (2,3-dimethoxy-5-oxo-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-6-yl) 2,2-dimethylbutanoate.
What is the SMILES notation for (2,3-dimethoxy-5-oxo-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-6-yl) 2,2-dimethylbutanoate?
The canonical SMILES for (2,3-dimethoxy-5-oxo-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-6-yl) 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OC1C(=O)OC2C(OC)C(OC)OC12.
What is the InChIKey of (2,3-dimethoxy-5-oxo-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-6-yl) 2,2-dimethylbutanoate?
The InChIKey is KJKYHTRUJDZHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O7/c1-6-14(2,3)13(16)21-9-7-8(19-11(9)15)10(17-4)12(18-5)20-7/h7-10,12H,6H2,1-5H3.
What are the key properties of (2,3-dimethoxy-5-oxo-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-6-yl) 2,2-dimethylbutanoate?
(2,3-dimethoxy-5-oxo-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-6-yl) 2,2-dimethylbutanoate has a molecular weight of 302.32 g/mol, XLogP of 0.65, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethoxy-5-oxo-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-6-yl) 2,2-dimethylbutanoate is sourced from PubChem (CID 59711497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).