methyl (2S)-3-hydroxy-2-(methoxymethoxy)propanoate

C6H12O5 — CID 15934347

IUPACmethyl (2S)-3-hydroxy-2-(methoxymethoxy)propanoate
SMILESCOCO[C@@H](CO)C(=O)OC
InChIInChI=1S/C6H12O5/c1-9-4-11-5(3-7)6(8)10-2/h5,7H,3-4H2,1-2H3/t5-/m0/s1
InChIKeyPQLHKBLRSZCXKH-YFKPBYRVSA-N
MW164.16 g/mol
LogP-0.86
Rot. Bonds5

About methyl (2S)-3-hydroxy-2-(methoxymethoxy)propanoate

methyl (2S)-3-hydroxy-2-(methoxymethoxy)propanoate (PubChem CID 15934347) has the molecular formula C6H12O5 and a molecular weight of 164.16 g/mol. Its IUPAC name is methyl (2S)-3-hydroxy-2-(methoxymethoxy)propanoate.

Molecular Properties

Compound Namemethyl (2S)-3-hydroxy-2-(methoxymethoxy)propanoate
PubChem CID15934347
Molecular FormulaC6H12O5
Molecular Weight164.16 g/mol
Exact Mass164.07
IUPAC Namemethyl (2S)-3-hydroxy-2-(methoxymethoxy)propanoate
SMILESCOCO[C@@H](CO)C(=O)OC
InChIInChI=1S/C6H12O5/c1-9-4-11-5(3-7)6(8)10-2/h5,7H,3-4H2,1-2H3/t5-/m0/s1
InChIKeyPQLHKBLRSZCXKH-YFKPBYRVSA-N
XLogP-0.86
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 5-0.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-3-hydroxy-2-(methoxymethoxy)propanoate?
The IUPAC name of methyl (2S)-3-hydroxy-2-(methoxymethoxy)propanoate (CID 15934347) is methyl (2S)-3-hydroxy-2-(methoxymethoxy)propanoate.
What is the SMILES notation for methyl (2S)-3-hydroxy-2-(methoxymethoxy)propanoate?
The canonical SMILES for methyl (2S)-3-hydroxy-2-(methoxymethoxy)propanoate is COCO[C@@H](CO)C(=O)OC.
What is the InChIKey of methyl (2S)-3-hydroxy-2-(methoxymethoxy)propanoate?
The InChIKey is PQLHKBLRSZCXKH-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H12O5/c1-9-4-11-5(3-7)6(8)10-2/h5,7H,3-4H2,1-2H3/t5-/m0/s1.
What are the key properties of methyl (2S)-3-hydroxy-2-(methoxymethoxy)propanoate?
methyl (2S)-3-hydroxy-2-(methoxymethoxy)propanoate has a molecular weight of 164.16 g/mol, XLogP of -0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-3-hydroxy-2-(methoxymethoxy)propanoate is sourced from PubChem (CID 15934347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).