methyl (2R)-2-methyl-3-(oxan-2-yloxy)propanoate

C10H18O4 — CID 10465452

IUPACmethyl (2R)-2-methyl-3-(oxan-2-yloxy)propanoate
SMILESCOC(=O)[C@H](C)COC1CCCCO1
InChIInChI=1S/C10H18O4/c1-8(10(11)12-2)7-14-9-5-3-4-6-13-9/h8-9H,3-7H2,1-2H3/t8-,9?/m1/s1
InChIKeyLDQFGTRJWJHKMF-VEDVMXKPSA-N
MW202.25 g/mol
LogP1.34
Rot. Bonds4

About methyl (2R)-2-methyl-3-(oxan-2-yloxy)propanoate

methyl (2R)-2-methyl-3-(oxan-2-yloxy)propanoate (PubChem CID 10465452) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is methyl (2R)-2-methyl-3-(oxan-2-yloxy)propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-methyl-3-(oxan-2-yloxy)propanoate
PubChem CID10465452
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Namemethyl (2R)-2-methyl-3-(oxan-2-yloxy)propanoate
SMILESCOC(=O)[C@H](C)COC1CCCCO1
InChIInChI=1S/C10H18O4/c1-8(10(11)12-2)7-14-9-5-3-4-6-13-9/h8-9H,3-7H2,1-2H3/t8-,9?/m1/s1
InChIKeyLDQFGTRJWJHKMF-VEDVMXKPSA-N
XLogP1.34
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-methyl-3-(oxan-2-yloxy)propanoate?
The IUPAC name of methyl (2R)-2-methyl-3-(oxan-2-yloxy)propanoate (CID 10465452) is methyl (2R)-2-methyl-3-(oxan-2-yloxy)propanoate.
What is the SMILES notation for methyl (2R)-2-methyl-3-(oxan-2-yloxy)propanoate?
The canonical SMILES for methyl (2R)-2-methyl-3-(oxan-2-yloxy)propanoate is COC(=O)[C@H](C)COC1CCCCO1.
What is the InChIKey of methyl (2R)-2-methyl-3-(oxan-2-yloxy)propanoate?
The InChIKey is LDQFGTRJWJHKMF-VEDVMXKPSA-N. The full InChI is InChI=1S/C10H18O4/c1-8(10(11)12-2)7-14-9-5-3-4-6-13-9/h8-9H,3-7H2,1-2H3/t8-,9?/m1/s1.
What are the key properties of methyl (2R)-2-methyl-3-(oxan-2-yloxy)propanoate?
methyl (2R)-2-methyl-3-(oxan-2-yloxy)propanoate has a molecular weight of 202.25 g/mol, XLogP of 1.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-methyl-3-(oxan-2-yloxy)propanoate is sourced from PubChem (CID 10465452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).