4-[2-[(2Z,4E)-4-bromohexa-2,4-dienoxy]ethyl]morpholine

C12H20BrNO2 — CID 170711234

IUPAC4-[2-[(2Z,4E)-4-bromohexa-2,4-dienoxy]ethyl]morpholine
SMILESC/C=C(Br)\C=C/COCCN1CCOCC1
InChIInChI=1S/C12H20BrNO2/c1-2-12(13)4-3-8-15-9-5-14-6-10-16-11-7-14/h2-4H,5-11H2,1H3/b4-3-,12-2+
InChIKeyOQEMPZVAEOTXMD-RMVVDNNJSA-N
MW290.20 g/mol
LogP2.19
Rot. Bonds6

About 4-[2-[(2Z,4E)-4-bromohexa-2,4-dienoxy]ethyl]morpholine

4-[2-[(2Z,4E)-4-bromohexa-2,4-dienoxy]ethyl]morpholine (PubChem CID 170711234) has the molecular formula C12H20BrNO2 and a molecular weight of 290.20 g/mol. Its IUPAC name is 4-[2-[(2Z,4E)-4-bromohexa-2,4-dienoxy]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[(2Z,4E)-4-bromohexa-2,4-dienoxy]ethyl]morpholine
PubChem CID170711234
Molecular FormulaC12H20BrNO2
Molecular Weight290.20 g/mol
Exact Mass289.07
IUPAC Name4-[2-[(2Z,4E)-4-bromohexa-2,4-dienoxy]ethyl]morpholine
SMILESC/C=C(Br)\C=C/COCCN1CCOCC1
InChIInChI=1S/C12H20BrNO2/c1-2-12(13)4-3-8-15-9-5-14-6-10-16-11-7-14/h2-4H,5-11H2,1H3/b4-3-,12-2+
InChIKeyOQEMPZVAEOTXMD-RMVVDNNJSA-N
XLogP2.19
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.20
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[(2Z,4Z)-4-(2-methylpropyl)hepta-2,4,6-trienoxy]ethyl]morpholine
CID 142259012
4-(2-ethoxyethyl)morpholine;hydrobromide
CID 173067075
ethane;4-(2-propoxyethyl)morpholine
CID 154661305
4-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]morpholine
CID 135134424
bis(2-morpholin-4-ylethyl) but-2-enedioate
CID 69032977
13,16-bis[2-(2-methoxyethoxy)ethyl]-1,4,7,10-tetraoxa-13,16-diazacyclooctadecane
CID 14910697
2-(2-morpholin-4-ylethoxy)ethyl methanesulfonate
CID 147517503
2-methyl-1-(2-morpholin-4-ylethoxy)propan-2-amine
CID 64537619
7-(2-morpholin-4-ylethoxy)heptan-1-ol
CID 123873926
4-(2-hexoxyethyl)morpholine
CID 3326674
ethane;4-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethyl]morpholine
CID 143677740
4-[(Z)-pent-3-enyl]morpholine
CID 142132381

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2Z,4E)-4-bromohexa-2,4-dienoxy]ethyl]morpholine?
The IUPAC name of 4-[2-[(2Z,4E)-4-bromohexa-2,4-dienoxy]ethyl]morpholine (CID 170711234) is 4-[2-[(2Z,4E)-4-bromohexa-2,4-dienoxy]ethyl]morpholine.
What is the SMILES notation for 4-[2-[(2Z,4E)-4-bromohexa-2,4-dienoxy]ethyl]morpholine?
The canonical SMILES for 4-[2-[(2Z,4E)-4-bromohexa-2,4-dienoxy]ethyl]morpholine is C/C=C(Br)\C=C/COCCN1CCOCC1.
What is the InChIKey of 4-[2-[(2Z,4E)-4-bromohexa-2,4-dienoxy]ethyl]morpholine?
The InChIKey is OQEMPZVAEOTXMD-RMVVDNNJSA-N. The full InChI is InChI=1S/C12H20BrNO2/c1-2-12(13)4-3-8-15-9-5-14-6-10-16-11-7-14/h2-4H,5-11H2,1H3/b4-3-,12-2+.
What are the key properties of 4-[2-[(2Z,4E)-4-bromohexa-2,4-dienoxy]ethyl]morpholine?
4-[2-[(2Z,4E)-4-bromohexa-2,4-dienoxy]ethyl]morpholine has a molecular weight of 290.20 g/mol, XLogP of 2.19, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2Z,4E)-4-bromohexa-2,4-dienoxy]ethyl]morpholine is sourced from PubChem (CID 170711234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).