2-bromo-3-(chloromethylidene)-7-methylocta-1,6-diene

C10H14BrCl — CID 74051203

IUPAC2-bromo-3-(chloromethylidene)-7-methylocta-1,6-diene
SMILESC=C(Br)C(=CCl)CCC=C(C)C
InChIInChI=1S/C10H14BrCl/c1-8(2)5-4-6-10(7-12)9(3)11/h5,7H,3-4,6H2,1-2H3
InChIKeyZHIJQYAFAQSVFK-UHFFFAOYSA-N
MW249.58 g/mol
LogP4.76
Rot. Bonds4

About 2-bromo-3-(chloromethylidene)-7-methylocta-1,6-diene

2-bromo-3-(chloromethylidene)-7-methylocta-1,6-diene (PubChem CID 74051203) has the molecular formula C10H14BrCl and a molecular weight of 249.58 g/mol. Its IUPAC name is 2-bromo-3-(chloromethylidene)-7-methylocta-1,6-diene.

Molecular Properties

Compound Name2-bromo-3-(chloromethylidene)-7-methylocta-1,6-diene
PubChem CID74051203
Molecular FormulaC10H14BrCl
Molecular Weight249.58 g/mol
Exact Mass248.00
IUPAC Name2-bromo-3-(chloromethylidene)-7-methylocta-1,6-diene
SMILESC=C(Br)C(=CCl)CCC=C(C)C
InChIInChI=1S/C10H14BrCl/c1-8(2)5-4-6-10(7-12)9(3)11/h5,7H,3-4,6H2,1-2H3
InChIKeyZHIJQYAFAQSVFK-UHFFFAOYSA-N
XLogP4.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.58
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(5E)-8-bromo-3,7-dichloro-2,6-dimethylocta-1,5-diene
CID 21630813
(3S,5S,E)-3,5-Dibromo-8-chloro-2,6-dimethyl-1,6-octadiene
CID 21630815
8-Bromo-3,7-dichloro-2,6-dimethylocta-1,5-diene
CID 71404228
(3S,5E,7S)-8-bromo-3,7-dichloro-2,6-dimethylocta-1,5-diene
CID 162877030
(3R,5E,7S)-8-bromo-3,7-dichloro-2,6-dimethylocta-1,5-diene
CID 162877031
(3R,5R,6E)-3,5-dibromo-8-chloro-2,6-dimethylocta-1,6-diene
CID 162957214
(3Z)-6-bromo-2-chloro-3-(chloromethylidene)-7-methylocta-1,6-diene
CID 11637751
2-Bromo-7-methyl-3-methylideneocta-1,6-diene
CID 23247411
6-Bromo-2-chloro-7-methyl-3-methylideneocta-1,6-diene
CID 23424595
(2E,4S,6E)-4,8-dibromo-1,1-dichloro-3,7-dimethylocta-2,6-diene
CID 162889885
(2E,4R,6E)-4,8-dibromo-1,1-dichloro-3,7-dimethylocta-2,6-diene
CID 162889886
(6E,7S)-7-bromo-6-(bromomethylidene)-8-chloro-2-methyloct-2-ene
CID 162896224

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-(chloromethylidene)-7-methylocta-1,6-diene?
The IUPAC name of 2-bromo-3-(chloromethylidene)-7-methylocta-1,6-diene (CID 74051203) is 2-bromo-3-(chloromethylidene)-7-methylocta-1,6-diene.
What is the SMILES notation for 2-bromo-3-(chloromethylidene)-7-methylocta-1,6-diene?
The canonical SMILES for 2-bromo-3-(chloromethylidene)-7-methylocta-1,6-diene is C=C(Br)C(=CCl)CCC=C(C)C.
What is the InChIKey of 2-bromo-3-(chloromethylidene)-7-methylocta-1,6-diene?
The InChIKey is ZHIJQYAFAQSVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrCl/c1-8(2)5-4-6-10(7-12)9(3)11/h5,7H,3-4,6H2,1-2H3.
What are the key properties of 2-bromo-3-(chloromethylidene)-7-methylocta-1,6-diene?
2-bromo-3-(chloromethylidene)-7-methylocta-1,6-diene has a molecular weight of 249.58 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-(chloromethylidene)-7-methylocta-1,6-diene is sourced from PubChem (CID 74051203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).