2-hydroxy-6a-(2-methoxypropan-2-yl)-2,3,3a,4-tetrahydrofuro[2,3-b]furan-5-one

C10H16O5 — CID 163780099

IUPAC2-hydroxy-6a-(2-methoxypropan-2-yl)-2,3,3a,4-tetrahydrofuro[2,3-b]furan-5-one
SMILESCOC(C)(C)C12OC(=O)CC1CC(O)O2
InChIInChI=1S/C10H16O5/c1-9(2,13-3)10-6(4-7(11)14-10)5-8(12)15-10/h6-7,11H,4-5H2,1-3H3
InChIKeyMNWHWIATZAPJKK-UHFFFAOYSA-N
MW216.23 g/mol
LogP0.41
Rot. Bonds2

About 2-hydroxy-6a-(2-methoxypropan-2-yl)-2,3,3a,4-tetrahydrofuro[2,3-b]furan-5-one

2-hydroxy-6a-(2-methoxypropan-2-yl)-2,3,3a,4-tetrahydrofuro[2,3-b]furan-5-one (PubChem CID 163780099) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is 2-hydroxy-6a-(2-methoxypropan-2-yl)-2,3,3a,4-tetrahydrofuro[2,3-b]furan-5-one.

Molecular Properties

Compound Name2-hydroxy-6a-(2-methoxypropan-2-yl)-2,3,3a,4-tetrahydrofuro[2,3-b]furan-5-one
PubChem CID163780099
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Name2-hydroxy-6a-(2-methoxypropan-2-yl)-2,3,3a,4-tetrahydrofuro[2,3-b]furan-5-one
SMILESCOC(C)(C)C12OC(=O)CC1CC(O)O2
InChIInChI=1S/C10H16O5/c1-9(2,13-3)10-6(4-7(11)14-10)5-8(12)15-10/h6-7,11H,4-5H2,1-3H3
InChIKeyMNWHWIATZAPJKK-UHFFFAOYSA-N
XLogP0.41
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-hydroxy-6a-(2-methoxypropan-2-yl)-2,3,3a,4-tetrahydrofuro[2,3-b]furan-5-one with MolForge

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Related Compounds

[5-(1,2-Dihydroxyethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] cyclopentanecarboxylate
CID 44337188
(3aR,6aS)-5,5-diethyl-3,3a,4,6a-tetrahydrofuro[2,3-b]furan-2-one
CID 134857963
(5R)-5-[(3aS,4S,6R,6aS)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-4-(hydroxymethyl)oxolan-2-one
CID 135038626
4-[(R)-[(3aS,4S,6R,6aS)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-hydroxymethyl]oxolan-2-one
CID 135038628
methyl 2-[(3aR,5S,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]acetate
CID 10064335
ethyl 2-[(3aR,5S,6R,6aR)-5-[(1R)-1,2-dihydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]acetate
CID 22806639
ethyl 2-[(3aR,5R,6R,6aR)-5-[(1R)-1,2-dihydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]acetate
CID 22806640
ethyl 2-[(3aR,5S,6R,6aR)-5-[(1R)-1,2-diacetyloxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]acetate
CID 22806641
ethyl 2-[(3aR,5R,6R,6aR)-5-[(1R)-1,2-diacetyloxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]acetate
CID 22806642
2-[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-hydroxy-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-yl]acetic acid
CID 56635361
actinium;(3aR,4R)-4-ethyl-6-hydroxy-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one
CID 59944003
(3aR,4R,6aR)-4-ethyl-6-hydroxy-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one
CID 59944008

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6a-(2-methoxypropan-2-yl)-2,3,3a,4-tetrahydrofuro[2,3-b]furan-5-one?
The IUPAC name of 2-hydroxy-6a-(2-methoxypropan-2-yl)-2,3,3a,4-tetrahydrofuro[2,3-b]furan-5-one (CID 163780099) is 2-hydroxy-6a-(2-methoxypropan-2-yl)-2,3,3a,4-tetrahydrofuro[2,3-b]furan-5-one.
What is the SMILES notation for 2-hydroxy-6a-(2-methoxypropan-2-yl)-2,3,3a,4-tetrahydrofuro[2,3-b]furan-5-one?
The canonical SMILES for 2-hydroxy-6a-(2-methoxypropan-2-yl)-2,3,3a,4-tetrahydrofuro[2,3-b]furan-5-one is COC(C)(C)C12OC(=O)CC1CC(O)O2.
What is the InChIKey of 2-hydroxy-6a-(2-methoxypropan-2-yl)-2,3,3a,4-tetrahydrofuro[2,3-b]furan-5-one?
The InChIKey is MNWHWIATZAPJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O5/c1-9(2,13-3)10-6(4-7(11)14-10)5-8(12)15-10/h6-7,11H,4-5H2,1-3H3.
What are the key properties of 2-hydroxy-6a-(2-methoxypropan-2-yl)-2,3,3a,4-tetrahydrofuro[2,3-b]furan-5-one?
2-hydroxy-6a-(2-methoxypropan-2-yl)-2,3,3a,4-tetrahydrofuro[2,3-b]furan-5-one has a molecular weight of 216.23 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6a-(2-methoxypropan-2-yl)-2,3,3a,4-tetrahydrofuro[2,3-b]furan-5-one is sourced from PubChem (CID 163780099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).