(E)-1,6,7-tribromo-3,7-dimethyloct-2-ene

C10H17Br3 — CID 5467862

IUPAC(E)-1,6,7-tribromo-3,7-dimethyloct-2-ene
SMILESC/C(=C\CBr)CCC(Br)C(C)(C)Br
InChIInChI=1S/C10H17Br3/c1-8(6-7-11)4-5-9(12)10(2,3)13/h6,9H,4-5,7H2,1-3H3/b8-6+
InChIKeyPXKOESLWITWTLF-SOFGYWHQSA-N
MW376.96 g/mol
LogP5.04
Rot. Bonds5

About (E)-1,6,7-tribromo-3,7-dimethyloct-2-ene

(E)-1,6,7-tribromo-3,7-dimethyloct-2-ene (PubChem CID 5467862) has the molecular formula C10H17Br3 and a molecular weight of 376.96 g/mol. Its IUPAC name is (E)-1,6,7-tribromo-3,7-dimethyloct-2-ene.

Molecular Properties

Compound Name(E)-1,6,7-tribromo-3,7-dimethyloct-2-ene
PubChem CID5467862
Molecular FormulaC10H17Br3
Molecular Weight376.96 g/mol
Exact Mass373.89
IUPAC Name(E)-1,6,7-tribromo-3,7-dimethyloct-2-ene
SMILESC/C(=C\CBr)CCC(Br)C(C)(C)Br
InChIInChI=1S/C10H17Br3/c1-8(6-7-11)4-5-9(12)10(2,3)13/h6,9H,4-5,7H2,1-3H3/b8-6+
InChIKeyPXKOESLWITWTLF-SOFGYWHQSA-N
XLogP5.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.96
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1,6,7-tribromo-3,7-dimethyloct-2-ene?
The IUPAC name of (E)-1,6,7-tribromo-3,7-dimethyloct-2-ene (CID 5467862) is (E)-1,6,7-tribromo-3,7-dimethyloct-2-ene.
What is the SMILES notation for (E)-1,6,7-tribromo-3,7-dimethyloct-2-ene?
The canonical SMILES for (E)-1,6,7-tribromo-3,7-dimethyloct-2-ene is C/C(=C\CBr)CCC(Br)C(C)(C)Br.
What is the InChIKey of (E)-1,6,7-tribromo-3,7-dimethyloct-2-ene?
The InChIKey is PXKOESLWITWTLF-SOFGYWHQSA-N. The full InChI is InChI=1S/C10H17Br3/c1-8(6-7-11)4-5-9(12)10(2,3)13/h6,9H,4-5,7H2,1-3H3/b8-6+.
What are the key properties of (E)-1,6,7-tribromo-3,7-dimethyloct-2-ene?
(E)-1,6,7-tribromo-3,7-dimethyloct-2-ene has a molecular weight of 376.96 g/mol, XLogP of 5.04, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,6,7-tribromo-3,7-dimethyloct-2-ene is sourced from PubChem (CID 5467862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).