3-bromo-8-chloro-6-(chloromethyl)-2-methylocta-1,6-diene

C10H15BrCl2 — CID 72732358

IUPAC3-bromo-8-chloro-6-(chloromethyl)-2-methylocta-1,6-diene
SMILESC=C(C)C(Br)CCC(=CCCl)CCl
InChIInChI=1S/C10H15BrCl2/c1-8(2)10(11)4-3-9(7-13)5-6-12/h5,10H,1,3-4,6-7H2,2H3
InChIKeyZFONOJWQZANXOP-UHFFFAOYSA-N
MW286.04 g/mol
LogP4.51
Rot. Bonds6

About 3-bromo-8-chloro-6-(chloromethyl)-2-methylocta-1,6-diene

3-bromo-8-chloro-6-(chloromethyl)-2-methylocta-1,6-diene (PubChem CID 72732358) has the molecular formula C10H15BrCl2 and a molecular weight of 286.04 g/mol. Its IUPAC name is 3-bromo-8-chloro-6-(chloromethyl)-2-methylocta-1,6-diene.

Molecular Properties

Compound Name3-bromo-8-chloro-6-(chloromethyl)-2-methylocta-1,6-diene
PubChem CID72732358
Molecular FormulaC10H15BrCl2
Molecular Weight286.04 g/mol
Exact Mass283.97
IUPAC Name3-bromo-8-chloro-6-(chloromethyl)-2-methylocta-1,6-diene
SMILESC=C(C)C(Br)CCC(=CCCl)CCl
InChIInChI=1S/C10H15BrCl2/c1-8(2)10(11)4-3-9(7-13)5-6-12/h5,10H,1,3-4,6-7H2,2H3
InChIKeyZFONOJWQZANXOP-UHFFFAOYSA-N
XLogP4.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.04
LogP ≤ 54.51
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 3-bromo-8-chloro-6-(chloromethyl)-2-methylocta-1,6-diene?
The IUPAC name of 3-bromo-8-chloro-6-(chloromethyl)-2-methylocta-1,6-diene (CID 72732358) is 3-bromo-8-chloro-6-(chloromethyl)-2-methylocta-1,6-diene.
What is the SMILES notation for 3-bromo-8-chloro-6-(chloromethyl)-2-methylocta-1,6-diene?
The canonical SMILES for 3-bromo-8-chloro-6-(chloromethyl)-2-methylocta-1,6-diene is C=C(C)C(Br)CCC(=CCCl)CCl.
What is the InChIKey of 3-bromo-8-chloro-6-(chloromethyl)-2-methylocta-1,6-diene?
The InChIKey is ZFONOJWQZANXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrCl2/c1-8(2)10(11)4-3-9(7-13)5-6-12/h5,10H,1,3-4,6-7H2,2H3.
What are the key properties of 3-bromo-8-chloro-6-(chloromethyl)-2-methylocta-1,6-diene?
3-bromo-8-chloro-6-(chloromethyl)-2-methylocta-1,6-diene has a molecular weight of 286.04 g/mol, XLogP of 4.51, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-8-chloro-6-(chloromethyl)-2-methylocta-1,6-diene is sourced from PubChem (CID 72732358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).