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

C10H15Br2Cl — CID 4680477

IUPAC6-bromo-3-(bromomethyl)-3-chloro-7-methylocta-1,6-diene
SMILESC=CC(Cl)(CBr)CCC(Br)=C(C)C
InChIInChI=1S/C10H15Br2Cl/c1-4-10(13,7-11)6-5-9(12)8(2)3/h4H,1,5-7H2,2-3H3
InChIKeyBUCYUZKBYYLDKN-UHFFFAOYSA-N
MW330.49 g/mol
LogP5.01
Rot. Bonds5

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

6-bromo-3-(bromomethyl)-3-chloro-7-methylocta-1,6-diene (PubChem CID 4680477) has the molecular formula C10H15Br2Cl and a molecular weight of 330.49 g/mol. Its IUPAC name is 6-bromo-3-(bromomethyl)-3-chloro-7-methylocta-1,6-diene.

Molecular Properties

Compound Name6-bromo-3-(bromomethyl)-3-chloro-7-methylocta-1,6-diene
PubChem CID4680477
Molecular FormulaC10H15Br2Cl
Molecular Weight330.49 g/mol
Exact Mass327.92
IUPAC Name6-bromo-3-(bromomethyl)-3-chloro-7-methylocta-1,6-diene
SMILESC=CC(Cl)(CBr)CCC(Br)=C(C)C
InChIInChI=1S/C10H15Br2Cl/c1-4-10(13,7-11)6-5-9(12)8(2)3/h4H,1,5-7H2,2-3H3
InChIKeyBUCYUZKBYYLDKN-UHFFFAOYSA-N
XLogP5.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.49
LogP ≤ 55.01
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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Related Compounds

(3S)-6-bromo-3-(bromomethyl)-2,3-dichloro-7-methylocta-1,6-diene
CID 10044349
(3S)-3-(bromomethyl)-2,3,6-trichloro-7-methylocta-1,6-diene
CID 10381365
Halogenated monoterpenes
CID 11493622
(-)-3-Bromomethyl-3-chloro-7-methyl-1,6-octadiene
CID 392485
(E)-(3R,4S,7S)-4,8-Dibromo-3,7-dichloro-3,7-dimethyl-octa-1,5-diene
CID 6475603
(3S,4S,5E,7S)-4,8-dibromo-3,7-dichloro-3,7-dimethyl-octa-1,5-diene
CID 6475604
(3S)-3-(bromomethyl)-2,3-dichloro-7-methylocta-1,6-diene
CID 15345661
(E,2R,6R,7S)-1,7-dibromo-2,6,8-trichloro-3,7-dimethyloct-3-ene
CID 23427000
(3S)-3-(bromomethyl)-3-chloro-7-methylocta-1,6-diene
CID 15345662
1,7-Dibromo-2,6,8-trichloro-3,7-dimethyloct-3-ene
CID 74052094
(1E,3Z,6R)-1,6-dibromo-2,7-dichloro-3,7-dimethylocta-1,3-diene
CID 162889349
(3S,4R,5E,7R)-4,8-dibromo-3,7-dichloro-3,7-dimethylocta-1,5-diene
CID 162902032

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(bromomethyl)-3-chloro-7-methylocta-1,6-diene?
The IUPAC name of 6-bromo-3-(bromomethyl)-3-chloro-7-methylocta-1,6-diene (CID 4680477) is 6-bromo-3-(bromomethyl)-3-chloro-7-methylocta-1,6-diene.
What is the SMILES notation for 6-bromo-3-(bromomethyl)-3-chloro-7-methylocta-1,6-diene?
The canonical SMILES for 6-bromo-3-(bromomethyl)-3-chloro-7-methylocta-1,6-diene is C=CC(Cl)(CBr)CCC(Br)=C(C)C.
What is the InChIKey of 6-bromo-3-(bromomethyl)-3-chloro-7-methylocta-1,6-diene?
The InChIKey is BUCYUZKBYYLDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15Br2Cl/c1-4-10(13,7-11)6-5-9(12)8(2)3/h4H,1,5-7H2,2-3H3.
What are the key properties of 6-bromo-3-(bromomethyl)-3-chloro-7-methylocta-1,6-diene?
6-bromo-3-(bromomethyl)-3-chloro-7-methylocta-1,6-diene has a molecular weight of 330.49 g/mol, XLogP of 5.01, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(bromomethyl)-3-chloro-7-methylocta-1,6-diene is sourced from PubChem (CID 4680477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).