2-[(1Z,4Z,6Z)-2-bromodeca-1,4,6-trienoxy]oxane

C15H23BrO2 — CID 102210291

IUPAC2-[(1Z,4Z,6Z)-2-bromodeca-1,4,6-trienoxy]oxane
SMILESCCC/C=C\C=C/C/C(Br)=C/OC1CCCCO1
InChIInChI=1S/C15H23BrO2/c1-2-3-4-5-6-7-10-14(16)13-18-15-11-8-9-12-17-15/h4-7,13,15H,2-3,8-12H2,1H3/b5-4-,7-6-,14-13-
InChIKeyTYFNFPBVOFLEAC-IWUDQEBGSA-N
MW315.25 g/mol
LogP5.07
Rot. Bonds7

About 2-[(1Z,4Z,6Z)-2-bromodeca-1,4,6-trienoxy]oxane

2-[(1Z,4Z,6Z)-2-bromodeca-1,4,6-trienoxy]oxane (PubChem CID 102210291) has the molecular formula C15H23BrO2 and a molecular weight of 315.25 g/mol. Its IUPAC name is 2-[(1Z,4Z,6Z)-2-bromodeca-1,4,6-trienoxy]oxane.

Molecular Properties

Compound Name2-[(1Z,4Z,6Z)-2-bromodeca-1,4,6-trienoxy]oxane
PubChem CID102210291
Molecular FormulaC15H23BrO2
Molecular Weight315.25 g/mol
Exact Mass314.09
IUPAC Name2-[(1Z,4Z,6Z)-2-bromodeca-1,4,6-trienoxy]oxane
SMILESCCC/C=C\C=C/C/C(Br)=C/OC1CCCCO1
InChIInChI=1S/C15H23BrO2/c1-2-3-4-5-6-7-10-14(16)13-18-15-11-8-9-12-17-15/h4-7,13,15H,2-3,8-12H2,1H3/b5-4-,7-6-,14-13-
InChIKeyTYFNFPBVOFLEAC-IWUDQEBGSA-N
XLogP5.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.25
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(1Z,4Z,6Z)-2-bromodeca-1,4,6-trienoxy]oxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3Z,5E)-nona-3,5-dienoxy]oxane
CID 177457132
(2S)-2-[(5Z,9Z)-trideca-5,9-dienoxy]oxane
CID 125486039
(2R)-2-[(Z)-tridec-9-en-5-ynoxy]oxane
CID 125486244
2-[(E)-hept-2-enoxy]oxane
CID 12861157
2-[(2E,4E)-6-(oxan-2-yloxy)hexa-2,4-dienoxy]oxane
CID 14026777
2-[(6Z,12Z)-octadeca-6,12-dienoxy]oxane
CID 163386037
(2R)-2-[(E)-dodec-5-enoxy]oxane
CID 125486255
(2R)-2-[(8E,10E)-dodeca-8,10-dienoxy]oxane
CID 6450274
2-[(E)-dec-3-enoxy]oxane
CID 15649194
2-[(E)-prop-1-enoxy]oxane
CID 12835881
2-[(E)-4-(oxan-2-yloxy)but-2-enoxy]oxane
CID 14103518
ethyl (E)-5-(oxan-2-yloxy)pent-2-enoate
CID 15839787

Frequently Asked Questions

What is the IUPAC name of 2-[(1Z,4Z,6Z)-2-bromodeca-1,4,6-trienoxy]oxane?
The IUPAC name of 2-[(1Z,4Z,6Z)-2-bromodeca-1,4,6-trienoxy]oxane (CID 102210291) is 2-[(1Z,4Z,6Z)-2-bromodeca-1,4,6-trienoxy]oxane.
What is the SMILES notation for 2-[(1Z,4Z,6Z)-2-bromodeca-1,4,6-trienoxy]oxane?
The canonical SMILES for 2-[(1Z,4Z,6Z)-2-bromodeca-1,4,6-trienoxy]oxane is CCC/C=C\C=C/C/C(Br)=C/OC1CCCCO1.
What is the InChIKey of 2-[(1Z,4Z,6Z)-2-bromodeca-1,4,6-trienoxy]oxane?
The InChIKey is TYFNFPBVOFLEAC-IWUDQEBGSA-N. The full InChI is InChI=1S/C15H23BrO2/c1-2-3-4-5-6-7-10-14(16)13-18-15-11-8-9-12-17-15/h4-7,13,15H,2-3,8-12H2,1H3/b5-4-,7-6-,14-13-.
What are the key properties of 2-[(1Z,4Z,6Z)-2-bromodeca-1,4,6-trienoxy]oxane?
2-[(1Z,4Z,6Z)-2-bromodeca-1,4,6-trienoxy]oxane has a molecular weight of 315.25 g/mol, XLogP of 5.07, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1Z,4Z,6Z)-2-bromodeca-1,4,6-trienoxy]oxane is sourced from PubChem (CID 102210291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).