(1Z,3E)-1,2,3,4-tetrabromo-5,5-dimethoxypenta-1,3-diene

C7H8Br4O2 — CID 88783589

IUPAC(1Z,3E)-1,2,3,4-tetrabromo-5,5-dimethoxypenta-1,3-diene
SMILESCOC(OC)/C(Br)=C(Br)/C(Br)=C/Br
InChIInChI=1S/C7H8Br4O2/c1-12-7(13-2)6(11)5(10)4(9)3-8/h3,7H,1-2H3/b4-3-,6-5+
InChIKeyVKSKJTYADZAUOP-DNVGVPOPSA-N
MW443.76 g/mol
LogP4.24
Rot. Bonds4

About (1Z,3E)-1,2,3,4-tetrabromo-5,5-dimethoxypenta-1,3-diene

(1Z,3E)-1,2,3,4-tetrabromo-5,5-dimethoxypenta-1,3-diene (PubChem CID 88783589) has the molecular formula C7H8Br4O2 and a molecular weight of 443.76 g/mol. Its IUPAC name is (1Z,3E)-1,2,3,4-tetrabromo-5,5-dimethoxypenta-1,3-diene.

Molecular Properties

Compound Name(1Z,3E)-1,2,3,4-tetrabromo-5,5-dimethoxypenta-1,3-diene
PubChem CID88783589
Molecular FormulaC7H8Br4O2
Molecular Weight443.76 g/mol
Exact Mass439.73
IUPAC Name(1Z,3E)-1,2,3,4-tetrabromo-5,5-dimethoxypenta-1,3-diene
SMILESCOC(OC)/C(Br)=C(Br)/C(Br)=C/Br
InChIInChI=1S/C7H8Br4O2/c1-12-7(13-2)6(11)5(10)4(9)3-8/h3,7H,1-2H3/b4-3-,6-5+
InChIKeyVKSKJTYADZAUOP-DNVGVPOPSA-N
XLogP4.24
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.76
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1Z,3E)-1,2,3,4-tetrabromo-5,5-dimethoxypenta-1,3-diene?
The IUPAC name of (1Z,3E)-1,2,3,4-tetrabromo-5,5-dimethoxypenta-1,3-diene (CID 88783589) is (1Z,3E)-1,2,3,4-tetrabromo-5,5-dimethoxypenta-1,3-diene.
What is the SMILES notation for (1Z,3E)-1,2,3,4-tetrabromo-5,5-dimethoxypenta-1,3-diene?
The canonical SMILES for (1Z,3E)-1,2,3,4-tetrabromo-5,5-dimethoxypenta-1,3-diene is COC(OC)/C(Br)=C(Br)/C(Br)=C/Br.
What is the InChIKey of (1Z,3E)-1,2,3,4-tetrabromo-5,5-dimethoxypenta-1,3-diene?
The InChIKey is VKSKJTYADZAUOP-DNVGVPOPSA-N. The full InChI is InChI=1S/C7H8Br4O2/c1-12-7(13-2)6(11)5(10)4(9)3-8/h3,7H,1-2H3/b4-3-,6-5+.
What are the key properties of (1Z,3E)-1,2,3,4-tetrabromo-5,5-dimethoxypenta-1,3-diene?
(1Z,3E)-1,2,3,4-tetrabromo-5,5-dimethoxypenta-1,3-diene has a molecular weight of 443.76 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-1,2,3,4-tetrabromo-5,5-dimethoxypenta-1,3-diene is sourced from PubChem (CID 88783589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).