4-[2-[(E)-hex-3-en-3-yl]oxyethyl]morpholine

C12H23NO2 — CID 139440790

IUPAC4-[2-[(E)-hex-3-en-3-yl]oxyethyl]morpholine
SMILESCC/C=C(\CC)OCCN1CCOCC1
InChIInChI=1S/C12H23NO2/c1-3-5-12(4-2)15-11-8-13-6-9-14-10-7-13/h5H,3-4,6-11H2,1-2H3/b12-5+
InChIKeyNIQNOJZZXPCHCC-LFYBBSHMSA-N
MW213.32 g/mol
LogP2.04
Rot. Bonds6

About 4-[2-[(E)-hex-3-en-3-yl]oxyethyl]morpholine

4-[2-[(E)-hex-3-en-3-yl]oxyethyl]morpholine (PubChem CID 139440790) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 4-[2-[(E)-hex-3-en-3-yl]oxyethyl]morpholine.

Molecular Properties

Compound Name4-[2-[(E)-hex-3-en-3-yl]oxyethyl]morpholine
PubChem CID139440790
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name4-[2-[(E)-hex-3-en-3-yl]oxyethyl]morpholine
SMILESCC/C=C(\CC)OCCN1CCOCC1
InChIInChI=1S/C12H23NO2/c1-3-5-12(4-2)15-11-8-13-6-9-14-10-7-13/h5H,3-4,6-11H2,1-2H3/b12-5+
InChIKeyNIQNOJZZXPCHCC-LFYBBSHMSA-N
XLogP2.04
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(E)-hex-3-en-3-yl]oxyethyl]morpholine?
The IUPAC name of 4-[2-[(E)-hex-3-en-3-yl]oxyethyl]morpholine (CID 139440790) is 4-[2-[(E)-hex-3-en-3-yl]oxyethyl]morpholine.
What is the SMILES notation for 4-[2-[(E)-hex-3-en-3-yl]oxyethyl]morpholine?
The canonical SMILES for 4-[2-[(E)-hex-3-en-3-yl]oxyethyl]morpholine is CC/C=C(\CC)OCCN1CCOCC1.
What is the InChIKey of 4-[2-[(E)-hex-3-en-3-yl]oxyethyl]morpholine?
The InChIKey is NIQNOJZZXPCHCC-LFYBBSHMSA-N. The full InChI is InChI=1S/C12H23NO2/c1-3-5-12(4-2)15-11-8-13-6-9-14-10-7-13/h5H,3-4,6-11H2,1-2H3/b12-5+.
What are the key properties of 4-[2-[(E)-hex-3-en-3-yl]oxyethyl]morpholine?
4-[2-[(E)-hex-3-en-3-yl]oxyethyl]morpholine has a molecular weight of 213.32 g/mol, XLogP of 2.04, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(E)-hex-3-en-3-yl]oxyethyl]morpholine is sourced from PubChem (CID 139440790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).