methyl 3-[(2R,3R)-3-formyl-5-methoxyoxolan-2-yl]propanoate

C10H16O5 — CID 102010058

IUPACmethyl 3-[(2R,3R)-3-formyl-5-methoxyoxolan-2-yl]propanoate
SMILESCOC(=O)CC[C@H]1OC(OC)C[C@H]1C=O
InChIInChI=1S/C10H16O5/c1-13-9(12)4-3-8-7(6-11)5-10(14-2)15-8/h6-8,10H,3-5H2,1-2H3/t7-,8+,10?/m0/s1
InChIKeyQYVJKGCVYJHBDD-VLCSVPMDSA-N
MW216.23 g/mol
LogP0.52
Rot. Bonds5

About methyl 3-[(2R,3R)-3-formyl-5-methoxyoxolan-2-yl]propanoate

methyl 3-[(2R,3R)-3-formyl-5-methoxyoxolan-2-yl]propanoate (PubChem CID 102010058) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is methyl 3-[(2R,3R)-3-formyl-5-methoxyoxolan-2-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[(2R,3R)-3-formyl-5-methoxyoxolan-2-yl]propanoate
PubChem CID102010058
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Namemethyl 3-[(2R,3R)-3-formyl-5-methoxyoxolan-2-yl]propanoate
SMILESCOC(=O)CC[C@H]1OC(OC)C[C@H]1C=O
InChIInChI=1S/C10H16O5/c1-13-9(12)4-3-8-7(6-11)5-10(14-2)15-8/h6-8,10H,3-5H2,1-2H3/t7-,8+,10?/m0/s1
InChIKeyQYVJKGCVYJHBDD-VLCSVPMDSA-N
XLogP0.52
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-Formyl-2-methoxy-1,6-dioxaspiro[4.4]nonane
CID 15653727
Ethyl 5-(diethoxymethyl)-4-oxoheptanoate
CID 134938029
(2-Ethyl-2-methyl-1,3 dioxolan-4-yl) methyl hexanoate
CID 154573569
Butanedioic acid, (tetrahydro-2-furanyl)-, diethyl ester
CID 12246385
1-Ethoxyethyl 2,5-diethyl-4-methyloxolane-3-carboxylate
CID 21351439
1-Ethoxyethyl 2,5-diethyloxolane-3-carboxylate
CID 23522006
2-Methylpropoxymethyl 2,5-diethyloxolane-3-carboxylate
CID 57783349
2,2-Dimethylpropoxymethyl 2,5-diethyloxolane-3-carboxylate
CID 57783362
Ethoxymethyl 2,5-diethyloxolane-3-carboxylate
CID 57783390
Methoxymethyl 2,5-diethyl-4-(methoxymethyl)oxolane-3-carboxylate
CID 57783411
Butoxymethyl 2,5-diethyloxolane-3-carboxylate
CID 57783415
Propoxymethyl 2,5-diethyloxolane-3-carboxylate
CID 57783425

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2R,3R)-3-formyl-5-methoxyoxolan-2-yl]propanoate?
The IUPAC name of methyl 3-[(2R,3R)-3-formyl-5-methoxyoxolan-2-yl]propanoate (CID 102010058) is methyl 3-[(2R,3R)-3-formyl-5-methoxyoxolan-2-yl]propanoate.
What is the SMILES notation for methyl 3-[(2R,3R)-3-formyl-5-methoxyoxolan-2-yl]propanoate?
The canonical SMILES for methyl 3-[(2R,3R)-3-formyl-5-methoxyoxolan-2-yl]propanoate is COC(=O)CC[C@H]1OC(OC)C[C@H]1C=O.
What is the InChIKey of methyl 3-[(2R,3R)-3-formyl-5-methoxyoxolan-2-yl]propanoate?
The InChIKey is QYVJKGCVYJHBDD-VLCSVPMDSA-N. The full InChI is InChI=1S/C10H16O5/c1-13-9(12)4-3-8-7(6-11)5-10(14-2)15-8/h6-8,10H,3-5H2,1-2H3/t7-,8+,10?/m0/s1.
What are the key properties of methyl 3-[(2R,3R)-3-formyl-5-methoxyoxolan-2-yl]propanoate?
methyl 3-[(2R,3R)-3-formyl-5-methoxyoxolan-2-yl]propanoate has a molecular weight of 216.23 g/mol, XLogP of 0.52, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2R,3R)-3-formyl-5-methoxyoxolan-2-yl]propanoate is sourced from PubChem (CID 102010058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).