(2R,3R,5S)-2-(deuteriomethyl)-3-methoxy-5-methyloxolane

C7H14O2 — CID 59637462

IUPAC(2R,3R,5S)-2-(deuteriomethyl)-3-methoxy-5-methyloxolane
SMILES[2H]C[C@H]1O[C@@H](C)C[C@H]1OC
InChIInChI=1S/C7H14O2/c1-5-4-7(8-3)6(2)9-5/h5-7H,4H2,1-3H3/t5-,6+,7+/m0/s1/i2D
InChIKeyVMQGVTHJPKSEAU-UVWHSLGWSA-N
MW131.19 g/mol
LogP1.20
Rot. Bonds2

About (2R,3R,5S)-2-(deuteriomethyl)-3-methoxy-5-methyloxolane

(2R,3R,5S)-2-(deuteriomethyl)-3-methoxy-5-methyloxolane (PubChem CID 59637462) has the molecular formula C7H14O2 and a molecular weight of 131.19 g/mol. Its IUPAC name is (2R,3R,5S)-2-(deuteriomethyl)-3-methoxy-5-methyloxolane.

Molecular Properties

Compound Name(2R,3R,5S)-2-(deuteriomethyl)-3-methoxy-5-methyloxolane
PubChem CID59637462
Molecular FormulaC7H14O2
Molecular Weight131.19 g/mol
Exact Mass131.11
IUPAC Name(2R,3R,5S)-2-(deuteriomethyl)-3-methoxy-5-methyloxolane
SMILES[2H]C[C@H]1O[C@@H](C)C[C@H]1OC
InChIInChI=1S/C7H14O2/c1-5-4-7(8-3)6(2)9-5/h5-7H,4H2,1-3H3/t5-,6+,7+/m0/s1/i2D
InChIKeyVMQGVTHJPKSEAU-UVWHSLGWSA-N
XLogP1.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.19
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,5S)-2-(deuteriomethyl)-3-methoxy-5-methyloxolane?
The IUPAC name of (2R,3R,5S)-2-(deuteriomethyl)-3-methoxy-5-methyloxolane (CID 59637462) is (2R,3R,5S)-2-(deuteriomethyl)-3-methoxy-5-methyloxolane.
What is the SMILES notation for (2R,3R,5S)-2-(deuteriomethyl)-3-methoxy-5-methyloxolane?
The canonical SMILES for (2R,3R,5S)-2-(deuteriomethyl)-3-methoxy-5-methyloxolane is [2H]C[C@H]1O[C@@H](C)C[C@H]1OC.
What is the InChIKey of (2R,3R,5S)-2-(deuteriomethyl)-3-methoxy-5-methyloxolane?
The InChIKey is VMQGVTHJPKSEAU-UVWHSLGWSA-N. The full InChI is InChI=1S/C7H14O2/c1-5-4-7(8-3)6(2)9-5/h5-7H,4H2,1-3H3/t5-,6+,7+/m0/s1/i2D.
What are the key properties of (2R,3R,5S)-2-(deuteriomethyl)-3-methoxy-5-methyloxolane?
(2R,3R,5S)-2-(deuteriomethyl)-3-methoxy-5-methyloxolane has a molecular weight of 131.19 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,5S)-2-(deuteriomethyl)-3-methoxy-5-methyloxolane is sourced from PubChem (CID 59637462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).