(E)-6-bromo-3-(bromomethyl)-1,2,7-trichloro-7-methyloct-2-ene

C10H15Br2Cl3 — CID 5468037

IUPAC(E)-6-bromo-3-(bromomethyl)-1,2,7-trichloro-7-methyloct-2-ene
SMILESCC(C)(Cl)C(Br)CC/C(CBr)=C(\Cl)CCl
InChIInChI=1S/C10H15Br2Cl3/c1-10(2,15)9(12)4-3-7(5-11)8(14)6-13/h9H,3-6H2,1-2H3/b8-7+
InChIKeyNSQLVXCLUIIUAA-BQYQJAHWSA-N
MW401.40 g/mol
LogP5.67
Rot. Bonds6

About (E)-6-bromo-3-(bromomethyl)-1,2,7-trichloro-7-methyloct-2-ene

(E)-6-bromo-3-(bromomethyl)-1,2,7-trichloro-7-methyloct-2-ene (PubChem CID 5468037) has the molecular formula C10H15Br2Cl3 and a molecular weight of 401.40 g/mol. Its IUPAC name is (E)-6-bromo-3-(bromomethyl)-1,2,7-trichloro-7-methyloct-2-ene.

Molecular Properties

Compound Name(E)-6-bromo-3-(bromomethyl)-1,2,7-trichloro-7-methyloct-2-ene
PubChem CID5468037
Molecular FormulaC10H15Br2Cl3
Molecular Weight401.40 g/mol
Exact Mass397.86
IUPAC Name(E)-6-bromo-3-(bromomethyl)-1,2,7-trichloro-7-methyloct-2-ene
SMILESCC(C)(Cl)C(Br)CC/C(CBr)=C(\Cl)CCl
InChIInChI=1S/C10H15Br2Cl3/c1-10(2,15)9(12)4-3-7(5-11)8(14)6-13/h9H,3-6H2,1-2H3/b8-7+
InChIKeyNSQLVXCLUIIUAA-BQYQJAHWSA-N
XLogP5.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.40
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-6-bromo-3-(bromomethyl)-1,2,7-trichloro-7-methyloct-2-ene?
The IUPAC name of (E)-6-bromo-3-(bromomethyl)-1,2,7-trichloro-7-methyloct-2-ene (CID 5468037) is (E)-6-bromo-3-(bromomethyl)-1,2,7-trichloro-7-methyloct-2-ene.
What is the SMILES notation for (E)-6-bromo-3-(bromomethyl)-1,2,7-trichloro-7-methyloct-2-ene?
The canonical SMILES for (E)-6-bromo-3-(bromomethyl)-1,2,7-trichloro-7-methyloct-2-ene is CC(C)(Cl)C(Br)CC/C(CBr)=C(\Cl)CCl.
What is the InChIKey of (E)-6-bromo-3-(bromomethyl)-1,2,7-trichloro-7-methyloct-2-ene?
The InChIKey is NSQLVXCLUIIUAA-BQYQJAHWSA-N. The full InChI is InChI=1S/C10H15Br2Cl3/c1-10(2,15)9(12)4-3-7(5-11)8(14)6-13/h9H,3-6H2,1-2H3/b8-7+.
What are the key properties of (E)-6-bromo-3-(bromomethyl)-1,2,7-trichloro-7-methyloct-2-ene?
(E)-6-bromo-3-(bromomethyl)-1,2,7-trichloro-7-methyloct-2-ene has a molecular weight of 401.40 g/mol, XLogP of 5.67, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-bromo-3-(bromomethyl)-1,2,7-trichloro-7-methyloct-2-ene is sourced from PubChem (CID 5468037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).