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

C10H13Br2Cl — CID 74051202

IUPAC2,6-dibromo-3-(chloromethylidene)-7-methylocta-1,6-diene
SMILESC=C(Br)C(=CCl)CCC(Br)=C(C)C
InChIInChI=1S/C10H13Br2Cl/c1-7(2)10(12)5-4-9(6-13)8(3)11/h6H,3-5H2,1-2H3
InChIKeyXRSOAZAPIYLVSV-UHFFFAOYSA-N
MW328.48 g/mol
LogP5.49
Rot. Bonds4

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

2,6-dibromo-3-(chloromethylidene)-7-methylocta-1,6-diene (PubChem CID 74051202) has the molecular formula C10H13Br2Cl and a molecular weight of 328.48 g/mol. Its IUPAC name is 2,6-dibromo-3-(chloromethylidene)-7-methylocta-1,6-diene.

Molecular Properties

Compound Name2,6-dibromo-3-(chloromethylidene)-7-methylocta-1,6-diene
PubChem CID74051202
Molecular FormulaC10H13Br2Cl
Molecular Weight328.48 g/mol
Exact Mass325.91
IUPAC Name2,6-dibromo-3-(chloromethylidene)-7-methylocta-1,6-diene
SMILESC=C(Br)C(=CCl)CCC(Br)=C(C)C
InChIInChI=1S/C10H13Br2Cl/c1-7(2)10(12)5-4-9(6-13)8(3)11/h6H,3-5H2,1-2H3
InChIKeyXRSOAZAPIYLVSV-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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Related Compounds

Halogenated monoterpenes
CID 11493622
(3S,5S,E)-3,5-Dibromo-8-chloro-2,6-dimethyl-1,6-octadiene
CID 21630815
(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
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
(6E,7S)-7,8-dibromo-6-(chloromethylidene)-2-methyloct-2-ene
CID 163070156
Plocoralide A
CID 21778151
4,8-Dibromo-1,1-dichloro-3,7-dimethylocta-2,6-diene
CID 73837924
(3Z)-2,6-dibromo-3-(chloromethylidene)-7-methylocta-1,6-diene
CID 23424593

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-3-(chloromethylidene)-7-methylocta-1,6-diene?
The IUPAC name of 2,6-dibromo-3-(chloromethylidene)-7-methylocta-1,6-diene (CID 74051202) is 2,6-dibromo-3-(chloromethylidene)-7-methylocta-1,6-diene.
What is the SMILES notation for 2,6-dibromo-3-(chloromethylidene)-7-methylocta-1,6-diene?
The canonical SMILES for 2,6-dibromo-3-(chloromethylidene)-7-methylocta-1,6-diene is C=C(Br)C(=CCl)CCC(Br)=C(C)C.
What is the InChIKey of 2,6-dibromo-3-(chloromethylidene)-7-methylocta-1,6-diene?
The InChIKey is XRSOAZAPIYLVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Br2Cl/c1-7(2)10(12)5-4-9(6-13)8(3)11/h6H,3-5H2,1-2H3.
What are the key properties of 2,6-dibromo-3-(chloromethylidene)-7-methylocta-1,6-diene?
2,6-dibromo-3-(chloromethylidene)-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 2,6-dibromo-3-(chloromethylidene)-7-methylocta-1,6-diene is sourced from PubChem (CID 74051202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).