(2S)-4-[(2S,3S,4S)-2,3-dimethyloxan-4-yl]-2-methoxymorpholine

C12H23NO3 — CID 142369587

IUPAC(2S)-4-[(2S,3S,4S)-2,3-dimethyloxan-4-yl]-2-methoxymorpholine
SMILESCO[C@@H]1CN([C@H]2CCO[C@@H](C)[C@H]2C)CCO1
InChIInChI=1S/C12H23NO3/c1-9-10(2)15-6-4-11(9)13-5-7-16-12(8-13)14-3/h9-12H,4-8H2,1-3H3/t9-,10+,11+,12+/m1/s1
InChIKeyCJSHCBUIPQJGOD-RHYQMDGZSA-N
MW229.32 g/mol
LogP1.10
Rot. Bonds2

About (2S)-4-[(2S,3S,4S)-2,3-dimethyloxan-4-yl]-2-methoxymorpholine

(2S)-4-[(2S,3S,4S)-2,3-dimethyloxan-4-yl]-2-methoxymorpholine (PubChem CID 142369587) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is (2S)-4-[(2S,3S,4S)-2,3-dimethyloxan-4-yl]-2-methoxymorpholine.

Molecular Properties

Compound Name(2S)-4-[(2S,3S,4S)-2,3-dimethyloxan-4-yl]-2-methoxymorpholine
PubChem CID142369587
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name(2S)-4-[(2S,3S,4S)-2,3-dimethyloxan-4-yl]-2-methoxymorpholine
SMILESCO[C@@H]1CN([C@H]2CCO[C@@H](C)[C@H]2C)CCO1
InChIInChI=1S/C12H23NO3/c1-9-10(2)15-6-4-11(9)13-5-7-16-12(8-13)14-3/h9-12H,4-8H2,1-3H3/t9-,10+,11+,12+/m1/s1
InChIKeyCJSHCBUIPQJGOD-RHYQMDGZSA-N
XLogP1.10
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(2S,3S,4S)-2,3-dimethyloxan-4-yl]-2-methoxymorpholine?
The IUPAC name of (2S)-4-[(2S,3S,4S)-2,3-dimethyloxan-4-yl]-2-methoxymorpholine (CID 142369587) is (2S)-4-[(2S,3S,4S)-2,3-dimethyloxan-4-yl]-2-methoxymorpholine.
What is the SMILES notation for (2S)-4-[(2S,3S,4S)-2,3-dimethyloxan-4-yl]-2-methoxymorpholine?
The canonical SMILES for (2S)-4-[(2S,3S,4S)-2,3-dimethyloxan-4-yl]-2-methoxymorpholine is CO[C@@H]1CN([C@H]2CCO[C@@H](C)[C@H]2C)CCO1.
What is the InChIKey of (2S)-4-[(2S,3S,4S)-2,3-dimethyloxan-4-yl]-2-methoxymorpholine?
The InChIKey is CJSHCBUIPQJGOD-RHYQMDGZSA-N. The full InChI is InChI=1S/C12H23NO3/c1-9-10(2)15-6-4-11(9)13-5-7-16-12(8-13)14-3/h9-12H,4-8H2,1-3H3/t9-,10+,11+,12+/m1/s1.
What are the key properties of (2S)-4-[(2S,3S,4S)-2,3-dimethyloxan-4-yl]-2-methoxymorpholine?
(2S)-4-[(2S,3S,4S)-2,3-dimethyloxan-4-yl]-2-methoxymorpholine has a molecular weight of 229.32 g/mol, XLogP of 1.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(2S,3S,4S)-2,3-dimethyloxan-4-yl]-2-methoxymorpholine is sourced from PubChem (CID 142369587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).