methyl 2-[(2R)-2,4-dihydroxy-1-methyl-7-oxabicyclo[4.1.0]heptan-2-yl]acetate

C10H16O5 — CID 59879092

IUPACmethyl 2-[(2R)-2,4-dihydroxy-1-methyl-7-oxabicyclo[4.1.0]heptan-2-yl]acetate
SMILESCOC(=O)C[C@]1(O)CC(O)CC2OC21C
InChIInChI=1S/C10H16O5/c1-9-7(15-9)3-6(11)4-10(9,13)5-8(12)14-2/h6-7,11,13H,3-5H2,1-2H3/t6?,7?,9?,10-/m1/s1
InChIKeyVUOZWKWXTLCKKH-ZOGMESQJSA-N
MW216.23 g/mol
LogP-0.41
Rot. Bonds2

About methyl 2-[(2R)-2,4-dihydroxy-1-methyl-7-oxabicyclo[4.1.0]heptan-2-yl]acetate

methyl 2-[(2R)-2,4-dihydroxy-1-methyl-7-oxabicyclo[4.1.0]heptan-2-yl]acetate (PubChem CID 59879092) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is methyl 2-[(2R)-2,4-dihydroxy-1-methyl-7-oxabicyclo[4.1.0]heptan-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2R)-2,4-dihydroxy-1-methyl-7-oxabicyclo[4.1.0]heptan-2-yl]acetate
PubChem CID59879092
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Namemethyl 2-[(2R)-2,4-dihydroxy-1-methyl-7-oxabicyclo[4.1.0]heptan-2-yl]acetate
SMILESCOC(=O)C[C@]1(O)CC(O)CC2OC21C
InChIInChI=1S/C10H16O5/c1-9-7(15-9)3-6(11)4-10(9,13)5-8(12)14-2/h6-7,11,13H,3-5H2,1-2H3/t6?,7?,9?,10-/m1/s1
InChIKeyVUOZWKWXTLCKKH-ZOGMESQJSA-N
XLogP-0.41
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2R)-2,4-dihydroxy-1-methyl-7-oxabicyclo[4.1.0]heptan-2-yl]acetate?
The IUPAC name of methyl 2-[(2R)-2,4-dihydroxy-1-methyl-7-oxabicyclo[4.1.0]heptan-2-yl]acetate (CID 59879092) is methyl 2-[(2R)-2,4-dihydroxy-1-methyl-7-oxabicyclo[4.1.0]heptan-2-yl]acetate.
What is the SMILES notation for methyl 2-[(2R)-2,4-dihydroxy-1-methyl-7-oxabicyclo[4.1.0]heptan-2-yl]acetate?
The canonical SMILES for methyl 2-[(2R)-2,4-dihydroxy-1-methyl-7-oxabicyclo[4.1.0]heptan-2-yl]acetate is COC(=O)C[C@]1(O)CC(O)CC2OC21C.
What is the InChIKey of methyl 2-[(2R)-2,4-dihydroxy-1-methyl-7-oxabicyclo[4.1.0]heptan-2-yl]acetate?
The InChIKey is VUOZWKWXTLCKKH-ZOGMESQJSA-N. The full InChI is InChI=1S/C10H16O5/c1-9-7(15-9)3-6(11)4-10(9,13)5-8(12)14-2/h6-7,11,13H,3-5H2,1-2H3/t6?,7?,9?,10-/m1/s1.
What are the key properties of methyl 2-[(2R)-2,4-dihydroxy-1-methyl-7-oxabicyclo[4.1.0]heptan-2-yl]acetate?
methyl 2-[(2R)-2,4-dihydroxy-1-methyl-7-oxabicyclo[4.1.0]heptan-2-yl]acetate has a molecular weight of 216.23 g/mol, XLogP of -0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2R)-2,4-dihydroxy-1-methyl-7-oxabicyclo[4.1.0]heptan-2-yl]acetate is sourced from PubChem (CID 59879092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).