3-(2-hydroxypropan-2-yloxy)-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one

C9H14O5 — CID 138664734

IUPAC3-(2-hydroxypropan-2-yloxy)-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
SMILESCC(C)(O)OC1COC2CC(=O)OC21
InChIInChI=1S/C9H14O5/c1-9(2,11)14-6-4-12-5-3-7(10)13-8(5)6/h5-6,8,11H,3-4H2,1-2H3
InChIKeyIEWJBQRKIAZAPU-UHFFFAOYSA-N
MW202.21 g/mol
LogP-0.19
Rot. Bonds2

About 3-(2-hydroxypropan-2-yloxy)-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one

3-(2-hydroxypropan-2-yloxy)-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one (PubChem CID 138664734) has the molecular formula C9H14O5 and a molecular weight of 202.21 g/mol. Its IUPAC name is 3-(2-hydroxypropan-2-yloxy)-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one.

Molecular Properties

Compound Name3-(2-hydroxypropan-2-yloxy)-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
PubChem CID138664734
Molecular FormulaC9H14O5
Molecular Weight202.21 g/mol
Exact Mass202.08
IUPAC Name3-(2-hydroxypropan-2-yloxy)-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
SMILESCC(C)(O)OC1COC2CC(=O)OC21
InChIInChI=1S/C9H14O5/c1-9(2,11)14-6-4-12-5-3-7(10)13-8(5)6/h5-6,8,11H,3-4H2,1-2H3
InChIKeyIEWJBQRKIAZAPU-UHFFFAOYSA-N
XLogP-0.19
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 3-(2-hydroxypropan-2-yloxy)-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one with MolForge

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Related Compounds

(1R,2R,6S,9R)-3-methyl-5,8,12-trioxa-3-azatricyclo[7.3.0.02,6]dodecane-4,11-dione
CID 11367859
8,9-bis(phenylmethoxy)-2,6-dioxabicyclo[3.3.1]nonan-3-one
CID 162664103
(3S,3aR,6S,6aR)-3,6-bis[(2-methylpropan-2-yl)oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 139315398
2-[(2R)-5-[(2R)-oxiran-2-yl]oxolan-2-yl]oxypropan-2-ol
CID 147454887
(4S,5R,6S)-5-aminooxy-6-ethyl-4-(2-hydroxypropan-2-yloxy)-6-methyloxan-2-one
CID 163760863
(3R,3aR,6aR)-3-hydroxy-2-methoxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
CID 10241281
6-hydroxy-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one
CID 85416030
4-(2-hydroxypropan-2-yl)-5-methyloxolan-2-one
CID 20652083
(7-methyl-3-oxo-2,6-dioxabicyclo[3.2.1]octan-8-yl) 2-methylpropanoate
CID 163948547
(2-methyl-5-oxooxolan-3-yl) 4,4-dimethylhexanoate
CID 71189001
tert-butyl (3R,3aR,6aR)-3-[(1S)-1,2-dihydroxyethyl]-5-oxo-3,3a,6,6a-tetrahydrofuro[2,3-d][1,2]oxazole-2-carboxylate
CID 12047353
4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one
CID 141190397

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxypropan-2-yloxy)-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one?
The IUPAC name of 3-(2-hydroxypropan-2-yloxy)-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one (CID 138664734) is 3-(2-hydroxypropan-2-yloxy)-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one.
What is the SMILES notation for 3-(2-hydroxypropan-2-yloxy)-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one?
The canonical SMILES for 3-(2-hydroxypropan-2-yloxy)-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one is CC(C)(O)OC1COC2CC(=O)OC21.
What is the InChIKey of 3-(2-hydroxypropan-2-yloxy)-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one?
The InChIKey is IEWJBQRKIAZAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O5/c1-9(2,11)14-6-4-12-5-3-7(10)13-8(5)6/h5-6,8,11H,3-4H2,1-2H3.
What are the key properties of 3-(2-hydroxypropan-2-yloxy)-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one?
3-(2-hydroxypropan-2-yloxy)-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one has a molecular weight of 202.21 g/mol, XLogP of -0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxypropan-2-yloxy)-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one is sourced from PubChem (CID 138664734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).