6-bromo-2-chloro-7-methyl-3-methylideneocta-1,6-diene

C10H14BrCl — CID 23424595

IUPAC6-bromo-2-chloro-7-methyl-3-methylideneocta-1,6-diene
SMILESC=C(Cl)C(=C)CCC(Br)=C(C)C
InChIInChI=1S/C10H14BrCl/c1-7(2)10(11)6-5-8(3)9(4)12/h3-6H2,1-2H3
InChIKeyYEIUGFLZHTVQPT-UHFFFAOYSA-N
MW249.58 g/mol
LogP4.76
Rot. Bonds4

About 6-bromo-2-chloro-7-methyl-3-methylideneocta-1,6-diene

6-bromo-2-chloro-7-methyl-3-methylideneocta-1,6-diene (PubChem CID 23424595) has the molecular formula C10H14BrCl and a molecular weight of 249.58 g/mol. Its IUPAC name is 6-bromo-2-chloro-7-methyl-3-methylideneocta-1,6-diene.

Molecular Properties

Compound Name6-bromo-2-chloro-7-methyl-3-methylideneocta-1,6-diene
PubChem CID23424595
Molecular FormulaC10H14BrCl
Molecular Weight249.58 g/mol
Exact Mass248.00
IUPAC Name6-bromo-2-chloro-7-methyl-3-methylideneocta-1,6-diene
SMILESC=C(Cl)C(=C)CCC(Br)=C(C)C
InChIInChI=1S/C10H14BrCl/c1-7(2)10(11)6-5-8(3)9(4)12/h3-6H2,1-2H3
InChIKeyYEIUGFLZHTVQPT-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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

Halogenated monoterpenes
CID 11493622
(3Z)-3-(bromomethylidene)-2-chloro-7-methylocta-1,6-diene
CID 5469803
(3Z)-6-bromo-2-chloro-3-(chloromethylidene)-7-methylocta-1,6-diene
CID 11637751
3-(Bromomethylidene)-2-chloro-7-methylocta-1,6-diene
CID 392486
(3E)-3-(bromomethylidene)-2-chloro-7-methylocta-1,6-diene
CID 6368040
(3Z)-2,6-dibromo-3-(chloromethylidene)-7-methylocta-1,6-diene
CID 23424593
(3Z)-2-bromo-3-(bromomethylidene)-6-chloro-7-methylocta-1,6-diene
CID 23424594
6-Bromo-3-(bromomethylidene)-2-chloro-7-methylocta-1,6-diene
CID 72983305
6-Bromo-2-chloro-3-(chloromethylidene)-7-methylocta-1,6-diene
CID 73037992
2-Bromo-3-(bromomethylidene)-6-chloro-7-methylocta-1,6-diene
CID 74028305
2,6-Dibromo-3-(chloromethylidene)-7-methylocta-1,6-diene
CID 74051202
2-Bromo-3-(chloromethylidene)-7-methylocta-1,6-diene
CID 74051203

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-chloro-7-methyl-3-methylideneocta-1,6-diene?
The IUPAC name of 6-bromo-2-chloro-7-methyl-3-methylideneocta-1,6-diene (CID 23424595) is 6-bromo-2-chloro-7-methyl-3-methylideneocta-1,6-diene.
What is the SMILES notation for 6-bromo-2-chloro-7-methyl-3-methylideneocta-1,6-diene?
The canonical SMILES for 6-bromo-2-chloro-7-methyl-3-methylideneocta-1,6-diene is C=C(Cl)C(=C)CCC(Br)=C(C)C.
What is the InChIKey of 6-bromo-2-chloro-7-methyl-3-methylideneocta-1,6-diene?
The InChIKey is YEIUGFLZHTVQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrCl/c1-7(2)10(11)6-5-8(3)9(4)12/h3-6H2,1-2H3.
What are the key properties of 6-bromo-2-chloro-7-methyl-3-methylideneocta-1,6-diene?
6-bromo-2-chloro-7-methyl-3-methylideneocta-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 6-bromo-2-chloro-7-methyl-3-methylideneocta-1,6-diene is sourced from PubChem (CID 23424595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).