methyl 2-(7-hydroxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-2-yl)acetate

C9H14O6 — CID 77378169

IUPACmethyl 2-(7-hydroxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-2-yl)acetate
SMILESCOC(=O)CC1OCC2OCC(O)C2O1
InChIInChI=1S/C9H14O6/c1-12-7(11)2-8-14-4-6-9(15-8)5(10)3-13-6/h5-6,8-10H,2-4H2,1H3
InChIKeyAKJFJZJQLWKLGK-UHFFFAOYSA-N
MW218.20 g/mol
LogP-0.95
Rot. Bonds2

About methyl 2-(7-hydroxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-2-yl)acetate

methyl 2-(7-hydroxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-2-yl)acetate (PubChem CID 77378169) has the molecular formula C9H14O6 and a molecular weight of 218.20 g/mol. Its IUPAC name is methyl 2-(7-hydroxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(7-hydroxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-2-yl)acetate
PubChem CID77378169
Molecular FormulaC9H14O6
Molecular Weight218.20 g/mol
Exact Mass218.08
IUPAC Namemethyl 2-(7-hydroxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-2-yl)acetate
SMILESCOC(=O)CC1OCC2OCC(O)C2O1
InChIInChI=1S/C9H14O6/c1-12-7(11)2-8-14-4-6-9(15-8)5(10)3-13-6/h5-6,8-10H,2-4H2,1H3
InChIKeyAKJFJZJQLWKLGK-UHFFFAOYSA-N
XLogP-0.95
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.20
LogP ≤ 5-0.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-(7-hydroxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-2-yl)acetate with MolForge

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Related Compounds

methyl 2-(1,3-dioxan-2-yl)acetate
CID 59252297
methyl 2-[(2R,4R,5R)-4-hydroxy-5-methyloxolan-2-yl]acetate
CID 10931919
methyl 2-[(2R,4S,5R)-4-hydroxy-5-methyloxolan-2-yl]acetate
CID 11105849
[(3R,3aR,5S,6aS)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-yl] acetate
CID 164917808
ethyl 3-[(2S,4aR,7S,7aR)-7-hydroxy-2-methyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-2-yl]propanoate
CID 67888564
methyl 2-[2-(oxan-2-ylmethyl)-1,3-dioxolan-4-yl]acetate
CID 117169151
methyl 2-(4,5-dihydroxy-6-methoxyoxan-2-yl)acetate
CID 67990824
2-(methoxymethyl)-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxine-6,7-diol
CID 171620819
(4aS,7R,7aS)-2,2-diethyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-7-ol
CID 67888582
2-(7-hydroxy-6-methoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-yl)acetaldehyde
CID 171620822
(3R,5R)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,5-diol
CID 102599956
methyl 2-[(1R,2R,3R,5S)-2-fluoro-3,5-dihydroxycyclopentyl]acetate
CID 90274160

Frequently Asked Questions

What is the IUPAC name of methyl 2-(7-hydroxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-2-yl)acetate?
The IUPAC name of methyl 2-(7-hydroxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-2-yl)acetate (CID 77378169) is methyl 2-(7-hydroxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-2-yl)acetate.
What is the SMILES notation for methyl 2-(7-hydroxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-2-yl)acetate?
The canonical SMILES for methyl 2-(7-hydroxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-2-yl)acetate is COC(=O)CC1OCC2OCC(O)C2O1.
What is the InChIKey of methyl 2-(7-hydroxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-2-yl)acetate?
The InChIKey is AKJFJZJQLWKLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O6/c1-12-7(11)2-8-14-4-6-9(15-8)5(10)3-13-6/h5-6,8-10H,2-4H2,1H3.
What are the key properties of methyl 2-(7-hydroxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-2-yl)acetate?
methyl 2-(7-hydroxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-2-yl)acetate has a molecular weight of 218.20 g/mol, XLogP of -0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(7-hydroxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-2-yl)acetate is sourced from PubChem (CID 77378169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).