(2R,4R)-2-(ethoxymethyl)-3,4-dimethyl-2-propan-2-yl-1,3-oxazolidine

C11H23NO2 — CID 138527528

IUPAC(2R,4R)-2-(ethoxymethyl)-3,4-dimethyl-2-propan-2-yl-1,3-oxazolidine
SMILESCCOC[C@@]1(C(C)C)OC[C@@H](C)N1C
InChIInChI=1S/C11H23NO2/c1-6-13-8-11(9(2)3)12(5)10(4)7-14-11/h9-10H,6-8H2,1-5H3/t10-,11+/m1/s1
InChIKeyKPPSRIYDZGTNSI-MNOVXSKESA-N
MW201.31 g/mol
LogP1.73
Rot. Bonds4

About (2R,4R)-2-(ethoxymethyl)-3,4-dimethyl-2-propan-2-yl-1,3-oxazolidine

(2R,4R)-2-(ethoxymethyl)-3,4-dimethyl-2-propan-2-yl-1,3-oxazolidine (PubChem CID 138527528) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is (2R,4R)-2-(ethoxymethyl)-3,4-dimethyl-2-propan-2-yl-1,3-oxazolidine.

Molecular Properties

Compound Name(2R,4R)-2-(ethoxymethyl)-3,4-dimethyl-2-propan-2-yl-1,3-oxazolidine
PubChem CID138527528
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name(2R,4R)-2-(ethoxymethyl)-3,4-dimethyl-2-propan-2-yl-1,3-oxazolidine
SMILESCCOC[C@@]1(C(C)C)OC[C@@H](C)N1C
InChIInChI=1S/C11H23NO2/c1-6-13-8-11(9(2)3)12(5)10(4)7-14-11/h9-10H,6-8H2,1-5H3/t10-,11+/m1/s1
InChIKeyKPPSRIYDZGTNSI-MNOVXSKESA-N
XLogP1.73
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-(ethoxymethyl)-3,4-dimethyl-2-propan-2-yl-1,3-oxazolidine?
The IUPAC name of (2R,4R)-2-(ethoxymethyl)-3,4-dimethyl-2-propan-2-yl-1,3-oxazolidine (CID 138527528) is (2R,4R)-2-(ethoxymethyl)-3,4-dimethyl-2-propan-2-yl-1,3-oxazolidine.
What is the SMILES notation for (2R,4R)-2-(ethoxymethyl)-3,4-dimethyl-2-propan-2-yl-1,3-oxazolidine?
The canonical SMILES for (2R,4R)-2-(ethoxymethyl)-3,4-dimethyl-2-propan-2-yl-1,3-oxazolidine is CCOC[C@@]1(C(C)C)OC[C@@H](C)N1C.
What is the InChIKey of (2R,4R)-2-(ethoxymethyl)-3,4-dimethyl-2-propan-2-yl-1,3-oxazolidine?
The InChIKey is KPPSRIYDZGTNSI-MNOVXSKESA-N. The full InChI is InChI=1S/C11H23NO2/c1-6-13-8-11(9(2)3)12(5)10(4)7-14-11/h9-10H,6-8H2,1-5H3/t10-,11+/m1/s1.
What are the key properties of (2R,4R)-2-(ethoxymethyl)-3,4-dimethyl-2-propan-2-yl-1,3-oxazolidine?
(2R,4R)-2-(ethoxymethyl)-3,4-dimethyl-2-propan-2-yl-1,3-oxazolidine has a molecular weight of 201.31 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-(ethoxymethyl)-3,4-dimethyl-2-propan-2-yl-1,3-oxazolidine is sourced from PubChem (CID 138527528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).