methyl 2-[(4R)-2-hydroxy-4-(methoxymethoxy)oxan-2-yl]acetate

C10H18O6 — CID 135060233

IUPACmethyl 2-[(4R)-2-hydroxy-4-(methoxymethoxy)oxan-2-yl]acetate
SMILESCOCO[C@@H]1CCOC(O)(CC(=O)OC)C1
InChIInChI=1S/C10H18O6/c1-13-7-15-8-3-4-16-10(12,5-8)6-9(11)14-2/h8,12H,3-7H2,1-2H3/t8-,10?/m1/s1
InChIKeyQQLYDEQWXKGDPB-HNHGDDPOSA-N
MW234.25 g/mol
LogP0.04
Rot. Bonds5

About methyl 2-[(4R)-2-hydroxy-4-(methoxymethoxy)oxan-2-yl]acetate

methyl 2-[(4R)-2-hydroxy-4-(methoxymethoxy)oxan-2-yl]acetate (PubChem CID 135060233) has the molecular formula C10H18O6 and a molecular weight of 234.25 g/mol. Its IUPAC name is methyl 2-[(4R)-2-hydroxy-4-(methoxymethoxy)oxan-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(4R)-2-hydroxy-4-(methoxymethoxy)oxan-2-yl]acetate
PubChem CID135060233
Molecular FormulaC10H18O6
Molecular Weight234.25 g/mol
Exact Mass234.11
IUPAC Namemethyl 2-[(4R)-2-hydroxy-4-(methoxymethoxy)oxan-2-yl]acetate
SMILESCOCO[C@@H]1CCOC(O)(CC(=O)OC)C1
InChIInChI=1S/C10H18O6/c1-13-7-15-8-3-4-16-10(12,5-8)6-9(11)14-2/h8,12H,3-7H2,1-2H3/t8-,10?/m1/s1
InChIKeyQQLYDEQWXKGDPB-HNHGDDPOSA-N
XLogP0.04
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 2-[(4R)-2-hydroxy-4-(methoxymethoxy)oxan-2-yl]acetate?
The IUPAC name of methyl 2-[(4R)-2-hydroxy-4-(methoxymethoxy)oxan-2-yl]acetate (CID 135060233) is methyl 2-[(4R)-2-hydroxy-4-(methoxymethoxy)oxan-2-yl]acetate.
What is the SMILES notation for methyl 2-[(4R)-2-hydroxy-4-(methoxymethoxy)oxan-2-yl]acetate?
The canonical SMILES for methyl 2-[(4R)-2-hydroxy-4-(methoxymethoxy)oxan-2-yl]acetate is COCO[C@@H]1CCOC(O)(CC(=O)OC)C1.
What is the InChIKey of methyl 2-[(4R)-2-hydroxy-4-(methoxymethoxy)oxan-2-yl]acetate?
The InChIKey is QQLYDEQWXKGDPB-HNHGDDPOSA-N. The full InChI is InChI=1S/C10H18O6/c1-13-7-15-8-3-4-16-10(12,5-8)6-9(11)14-2/h8,12H,3-7H2,1-2H3/t8-,10?/m1/s1.
What are the key properties of methyl 2-[(4R)-2-hydroxy-4-(methoxymethoxy)oxan-2-yl]acetate?
methyl 2-[(4R)-2-hydroxy-4-(methoxymethoxy)oxan-2-yl]acetate has a molecular weight of 234.25 g/mol, XLogP of 0.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4R)-2-hydroxy-4-(methoxymethoxy)oxan-2-yl]acetate is sourced from PubChem (CID 135060233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).