dimethyl 2-(4-hydroxy-2-methoxyoxolan-3-yl)propanedioate

C10H16O7 — CID 69289154

IUPACdimethyl 2-(4-hydroxy-2-methoxyoxolan-3-yl)propanedioate
SMILESCOC(=O)C(C(=O)OC)C1C(O)COC1OC
InChIInChI=1S/C10H16O7/c1-14-8(12)7(9(13)15-2)6-5(11)4-17-10(6)16-3/h5-7,10-11H,4H2,1-3H3
InChIKeyUNVPFJVGVPRHPM-UHFFFAOYSA-N
MW248.23 g/mol
LogP-1.07
Rot. Bonds4

About dimethyl 2-(4-hydroxy-2-methoxyoxolan-3-yl)propanedioate

dimethyl 2-(4-hydroxy-2-methoxyoxolan-3-yl)propanedioate (PubChem CID 69289154) has the molecular formula C10H16O7 and a molecular weight of 248.23 g/mol. Its IUPAC name is dimethyl 2-(4-hydroxy-2-methoxyoxolan-3-yl)propanedioate.

Molecular Properties

Compound Namedimethyl 2-(4-hydroxy-2-methoxyoxolan-3-yl)propanedioate
PubChem CID69289154
Molecular FormulaC10H16O7
Molecular Weight248.23 g/mol
Exact Mass248.09
IUPAC Namedimethyl 2-(4-hydroxy-2-methoxyoxolan-3-yl)propanedioate
SMILESCOC(=O)C(C(=O)OC)C1C(O)COC1OC
InChIInChI=1S/C10H16O7/c1-14-8(12)7(9(13)15-2)6-5(11)4-17-10(6)16-3/h5-7,10-11H,4H2,1-3H3
InChIKeyUNVPFJVGVPRHPM-UHFFFAOYSA-N
XLogP-1.07
TPSA91.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 5-1.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

dimethyl 2-[(2R,3S,4S,5R)-4,5-diacetyloxy-2-methoxyoxan-3-yl]propanedioate
CID 102331148
methyl 2-methoxy-2-[(2-methoxyoxetan-3-yl)amino]acetate
CID 148616336
(2R,3S,4S)-2-methoxyoxolane-3,4-diol
CID 130831872
(2R,3R,4S)-2-methoxyoxolane-3,4-diol
CID 14443636
(2S,4R,5R)-2-methoxyoxane-3,4,5-triol
CID 24802344
methyl 2-[(3R,6R)-3-hydroxy-3,6-dihydro-2H-pyran-6-yl]-3-oxobutanoate
CID 10965868
(2S,3R,4S,5R)-2,4-dimethoxyoxane-3,5-diol
CID 100984386
[(2R,3R,4S,5S)-4,5-dihydroxy-2-methoxyoxan-3-yl] acetate
CID 14412088
[(2S,3S,4S,5R)-3,5-dihydroxy-2-methoxyoxan-4-yl] acetate
CID 102251070
methyl (2R,3S,4S,5R)-3,4,5-trihydroxyoxane-2-carboxylate
CID 100924414
(3R,4R,5S)-4-(hydroxymethyl)-5-methoxyoxolan-3-ol
CID 15714977
dimethyl 2-[(2R,5S)-4,5-diacetyloxy-6-(acetyloxymethyl)-2-methoxyoxan-3-yl]propanedioate
CID 134833645

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-(4-hydroxy-2-methoxyoxolan-3-yl)propanedioate?
The IUPAC name of dimethyl 2-(4-hydroxy-2-methoxyoxolan-3-yl)propanedioate (CID 69289154) is dimethyl 2-(4-hydroxy-2-methoxyoxolan-3-yl)propanedioate.
What is the SMILES notation for dimethyl 2-(4-hydroxy-2-methoxyoxolan-3-yl)propanedioate?
The canonical SMILES for dimethyl 2-(4-hydroxy-2-methoxyoxolan-3-yl)propanedioate is COC(=O)C(C(=O)OC)C1C(O)COC1OC.
What is the InChIKey of dimethyl 2-(4-hydroxy-2-methoxyoxolan-3-yl)propanedioate?
The InChIKey is UNVPFJVGVPRHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O7/c1-14-8(12)7(9(13)15-2)6-5(11)4-17-10(6)16-3/h5-7,10-11H,4H2,1-3H3.
What are the key properties of dimethyl 2-(4-hydroxy-2-methoxyoxolan-3-yl)propanedioate?
dimethyl 2-(4-hydroxy-2-methoxyoxolan-3-yl)propanedioate has a molecular weight of 248.23 g/mol, XLogP of -1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-(4-hydroxy-2-methoxyoxolan-3-yl)propanedioate is sourced from PubChem (CID 69289154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).