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

C10H13Br2Cl — CID 72983305

IUPAC6-bromo-3-(bromomethylidene)-2-chloro-7-methylocta-1,6-diene
SMILESC=C(Cl)C(=CBr)CCC(Br)=C(C)C
InChIInChI=1S/C10H13Br2Cl/c1-7(2)10(12)5-4-9(6-11)8(3)13/h6H,3-5H2,1-2H3
InChIKeyHADZLPWHSAKXHN-UHFFFAOYSA-N
MW328.48 g/mol
LogP5.49
Rot. Bonds4

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

6-bromo-3-(bromomethylidene)-2-chloro-7-methylocta-1,6-diene (PubChem CID 72983305) has the molecular formula C10H13Br2Cl and a molecular weight of 328.48 g/mol. Its IUPAC name is 6-bromo-3-(bromomethylidene)-2-chloro-7-methylocta-1,6-diene.

Molecular Properties

Compound Name6-bromo-3-(bromomethylidene)-2-chloro-7-methylocta-1,6-diene
PubChem CID72983305
Molecular FormulaC10H13Br2Cl
Molecular Weight328.48 g/mol
Exact Mass325.91
IUPAC Name6-bromo-3-(bromomethylidene)-2-chloro-7-methylocta-1,6-diene
SMILESC=C(Cl)C(=CBr)CCC(Br)=C(C)C
InChIInChI=1S/C10H13Br2Cl/c1-7(2)10(12)5-4-9(6-11)8(3)13/h6H,3-5H2,1-2H3
InChIKeyHADZLPWHSAKXHN-UHFFFAOYSA-N
XLogP5.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.48
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(bromomethylidene)-2-chloro-7-methylocta-1,6-diene?
The IUPAC name of 6-bromo-3-(bromomethylidene)-2-chloro-7-methylocta-1,6-diene (CID 72983305) is 6-bromo-3-(bromomethylidene)-2-chloro-7-methylocta-1,6-diene.
What is the SMILES notation for 6-bromo-3-(bromomethylidene)-2-chloro-7-methylocta-1,6-diene?
The canonical SMILES for 6-bromo-3-(bromomethylidene)-2-chloro-7-methylocta-1,6-diene is C=C(Cl)C(=CBr)CCC(Br)=C(C)C.
What is the InChIKey of 6-bromo-3-(bromomethylidene)-2-chloro-7-methylocta-1,6-diene?
The InChIKey is HADZLPWHSAKXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Br2Cl/c1-7(2)10(12)5-4-9(6-11)8(3)13/h6H,3-5H2,1-2H3.
What are the key properties of 6-bromo-3-(bromomethylidene)-2-chloro-7-methylocta-1,6-diene?
6-bromo-3-(bromomethylidene)-2-chloro-7-methylocta-1,6-diene has a molecular weight of 328.48 g/mol, XLogP of 5.49, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(bromomethylidene)-2-chloro-7-methylocta-1,6-diene is sourced from PubChem (CID 72983305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).