methyl (2R)-2-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]propanoate

C11H20O4 — CID 14586779

IUPACmethyl (2R)-2-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]propanoate
SMILESCOC(=O)[C@H](C)[C@H]1OC(C)(C)OC[C@H]1C
InChIInChI=1S/C11H20O4/c1-7-6-14-11(3,4)15-9(7)8(2)10(12)13-5/h7-9H,6H2,1-5H3/t7-,8-,9+/m1/s1
InChIKeyRAOZMIOIGIOCFN-HLTSFMKQSA-N
MW216.28 g/mol
LogP1.58
Rot. Bonds2

About methyl (2R)-2-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]propanoate

methyl (2R)-2-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]propanoate (PubChem CID 14586779) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is methyl (2R)-2-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]propanoate
PubChem CID14586779
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Namemethyl (2R)-2-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]propanoate
SMILESCOC(=O)[C@H](C)[C@H]1OC(C)(C)OC[C@H]1C
InChIInChI=1S/C11H20O4/c1-7-6-14-11(3,4)15-9(7)8(2)10(12)13-5/h7-9H,6H2,1-5H3/t7-,8-,9+/m1/s1
InChIKeyRAOZMIOIGIOCFN-HLTSFMKQSA-N
XLogP1.58
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]propanoate?
The IUPAC name of methyl (2R)-2-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]propanoate (CID 14586779) is methyl (2R)-2-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]propanoate.
What is the SMILES notation for methyl (2R)-2-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]propanoate?
The canonical SMILES for methyl (2R)-2-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]propanoate is COC(=O)[C@H](C)[C@H]1OC(C)(C)OC[C@H]1C.
What is the InChIKey of methyl (2R)-2-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]propanoate?
The InChIKey is RAOZMIOIGIOCFN-HLTSFMKQSA-N. The full InChI is InChI=1S/C11H20O4/c1-7-6-14-11(3,4)15-9(7)8(2)10(12)13-5/h7-9H,6H2,1-5H3/t7-,8-,9+/m1/s1.
What are the key properties of methyl (2R)-2-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]propanoate?
methyl (2R)-2-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]propanoate has a molecular weight of 216.28 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]propanoate is sourced from PubChem (CID 14586779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).