6-[(E)-2,3-dibromo-4-prop-2-enoxybut-2-enoxy]hex-1-ene

C13H20Br2O2 — CID 122367443

IUPAC6-[(E)-2,3-dibromo-4-prop-2-enoxybut-2-enoxy]hex-1-ene
SMILESC=CCCCCOC/C(Br)=C(\Br)COCC=C
InChIInChI=1S/C13H20Br2O2/c1-3-5-6-7-9-17-11-13(15)12(14)10-16-8-4-2/h3-4H,1-2,5-11H2/b13-12+
InChIKeyCBAPJSUOXLBCHD-OUKQBFOZSA-N
MW368.11 g/mol
LogP4.56
Rot. Bonds11

About 6-[(E)-2,3-dibromo-4-prop-2-enoxybut-2-enoxy]hex-1-ene

6-[(E)-2,3-dibromo-4-prop-2-enoxybut-2-enoxy]hex-1-ene (PubChem CID 122367443) has the molecular formula C13H20Br2O2 and a molecular weight of 368.11 g/mol. Its IUPAC name is 6-[(E)-2,3-dibromo-4-prop-2-enoxybut-2-enoxy]hex-1-ene.

Molecular Properties

Compound Name6-[(E)-2,3-dibromo-4-prop-2-enoxybut-2-enoxy]hex-1-ene
PubChem CID122367443
Molecular FormulaC13H20Br2O2
Molecular Weight368.11 g/mol
Exact Mass365.98
IUPAC Name6-[(E)-2,3-dibromo-4-prop-2-enoxybut-2-enoxy]hex-1-ene
SMILESC=CCCCCOC/C(Br)=C(\Br)COCC=C
InChIInChI=1S/C13H20Br2O2/c1-3-5-6-7-9-17-11-13(15)12(14)10-16-8-4-2/h3-4H,1-2,5-11H2/b13-12+
InChIKeyCBAPJSUOXLBCHD-OUKQBFOZSA-N
XLogP4.56
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.11
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-6-[(2E,4E)-hexa-2,4-dienoxy]hex-1-ene
CID 13113517
2-Bromo-6-hexa-2,4-dienoxyhex-1-ene
CID 73166004
(3Z,11E)-3,4-dibromo-1,6-dioxacyclotrideca-3,11-diene
CID 177492056

Frequently Asked Questions

What is the IUPAC name of 6-[(E)-2,3-dibromo-4-prop-2-enoxybut-2-enoxy]hex-1-ene?
The IUPAC name of 6-[(E)-2,3-dibromo-4-prop-2-enoxybut-2-enoxy]hex-1-ene (CID 122367443) is 6-[(E)-2,3-dibromo-4-prop-2-enoxybut-2-enoxy]hex-1-ene.
What is the SMILES notation for 6-[(E)-2,3-dibromo-4-prop-2-enoxybut-2-enoxy]hex-1-ene?
The canonical SMILES for 6-[(E)-2,3-dibromo-4-prop-2-enoxybut-2-enoxy]hex-1-ene is C=CCCCCOC/C(Br)=C(\Br)COCC=C.
What is the InChIKey of 6-[(E)-2,3-dibromo-4-prop-2-enoxybut-2-enoxy]hex-1-ene?
The InChIKey is CBAPJSUOXLBCHD-OUKQBFOZSA-N. The full InChI is InChI=1S/C13H20Br2O2/c1-3-5-6-7-9-17-11-13(15)12(14)10-16-8-4-2/h3-4H,1-2,5-11H2/b13-12+.
What are the key properties of 6-[(E)-2,3-dibromo-4-prop-2-enoxybut-2-enoxy]hex-1-ene?
6-[(E)-2,3-dibromo-4-prop-2-enoxybut-2-enoxy]hex-1-ene has a molecular weight of 368.11 g/mol, XLogP of 4.56, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-2,3-dibromo-4-prop-2-enoxybut-2-enoxy]hex-1-ene is sourced from PubChem (CID 122367443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).