(2S)-2-(butoxymethyl)-2-prop-2-enylmorpholine

C12H23NO2 — CID 121266467

IUPAC(2S)-2-(butoxymethyl)-2-prop-2-enylmorpholine
SMILESC=CC[C@@]1(COCCCC)CNCCO1
InChIInChI=1S/C12H23NO2/c1-3-5-8-14-11-12(6-4-2)10-13-7-9-15-12/h4,13H,2-3,5-11H2,1H3/t12-/m0/s1
InChIKeyFPLSFTARVYFHPU-LBPRGKRZSA-N
MW213.32 g/mol
LogP1.74
Rot. Bonds7

About (2S)-2-(butoxymethyl)-2-prop-2-enylmorpholine

(2S)-2-(butoxymethyl)-2-prop-2-enylmorpholine (PubChem CID 121266467) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is (2S)-2-(butoxymethyl)-2-prop-2-enylmorpholine.

Molecular Properties

Compound Name(2S)-2-(butoxymethyl)-2-prop-2-enylmorpholine
PubChem CID121266467
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name(2S)-2-(butoxymethyl)-2-prop-2-enylmorpholine
SMILESC=CC[C@@]1(COCCCC)CNCCO1
InChIInChI=1S/C12H23NO2/c1-3-5-8-14-11-12(6-4-2)10-13-7-9-15-12/h4,13H,2-3,5-11H2,1H3/t12-/m0/s1
InChIKeyFPLSFTARVYFHPU-LBPRGKRZSA-N
XLogP1.74
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(butoxymethyl)-2-prop-2-enylmorpholine?
The IUPAC name of (2S)-2-(butoxymethyl)-2-prop-2-enylmorpholine (CID 121266467) is (2S)-2-(butoxymethyl)-2-prop-2-enylmorpholine.
What is the SMILES notation for (2S)-2-(butoxymethyl)-2-prop-2-enylmorpholine?
The canonical SMILES for (2S)-2-(butoxymethyl)-2-prop-2-enylmorpholine is C=CC[C@@]1(COCCCC)CNCCO1.
What is the InChIKey of (2S)-2-(butoxymethyl)-2-prop-2-enylmorpholine?
The InChIKey is FPLSFTARVYFHPU-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H23NO2/c1-3-5-8-14-11-12(6-4-2)10-13-7-9-15-12/h4,13H,2-3,5-11H2,1H3/t12-/m0/s1.
What are the key properties of (2S)-2-(butoxymethyl)-2-prop-2-enylmorpholine?
(2S)-2-(butoxymethyl)-2-prop-2-enylmorpholine has a molecular weight of 213.32 g/mol, XLogP of 1.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(butoxymethyl)-2-prop-2-enylmorpholine is sourced from PubChem (CID 121266467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).