(3R,5R,6E)-3,5-dibromo-8-chloro-2,6-dimethylocta-1,6-diene

C10H15Br2Cl — CID 162957214

IUPAC(3R,5R,6E)-3,5-dibromo-8-chloro-2,6-dimethylocta-1,6-diene
SMILESC=C(C)[C@H](Br)C[C@@H](Br)/C(C)=C/CCl
InChIInChI=1S/C10H15Br2Cl/c1-7(2)9(11)6-10(12)8(3)4-5-13/h4,9-10H,1,5-6H2,2-3H3/b8-4+/t9-,10-/m1/s1
InChIKeyYUIHVEKNYFPNLL-PSVJHUJZSA-N
MW330.49 g/mol
LogP4.66
Rot. Bonds5

About (3R,5R,6E)-3,5-dibromo-8-chloro-2,6-dimethylocta-1,6-diene

(3R,5R,6E)-3,5-dibromo-8-chloro-2,6-dimethylocta-1,6-diene (PubChem CID 162957214) has the molecular formula C10H15Br2Cl and a molecular weight of 330.49 g/mol. Its IUPAC name is (3R,5R,6E)-3,5-dibromo-8-chloro-2,6-dimethylocta-1,6-diene.

Molecular Properties

Compound Name(3R,5R,6E)-3,5-dibromo-8-chloro-2,6-dimethylocta-1,6-diene
PubChem CID162957214
Molecular FormulaC10H15Br2Cl
Molecular Weight330.49 g/mol
Exact Mass327.92
IUPAC Name(3R,5R,6E)-3,5-dibromo-8-chloro-2,6-dimethylocta-1,6-diene
SMILESC=C(C)[C@H](Br)C[C@@H](Br)/C(C)=C/CCl
InChIInChI=1S/C10H15Br2Cl/c1-7(2)9(11)6-10(12)8(3)4-5-13/h4,9-10H,1,5-6H2,2-3H3/b8-4+/t9-,10-/m1/s1
InChIKeyYUIHVEKNYFPNLL-PSVJHUJZSA-N
XLogP4.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.49
LogP ≤ 54.66
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

(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
Plocoralide A
CID 21778151
Plocoralide C
CID 11452326
1,1-Dichloro-3,7-dimethyl-4,6-dibromo-2,7-octadiene
CID 11326011
3,5-Dibromo-8,8-dichloro-2,6-dimethylocta-1,6-diene
CID 72802291
4,8-Dibromo-1,1,7-trichloro-3,7-dimethylocta-2,5-diene
CID 72966989
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 (3R,5R,6E)-3,5-dibromo-8-chloro-2,6-dimethylocta-1,6-diene?
The IUPAC name of (3R,5R,6E)-3,5-dibromo-8-chloro-2,6-dimethylocta-1,6-diene (CID 162957214) is (3R,5R,6E)-3,5-dibromo-8-chloro-2,6-dimethylocta-1,6-diene.
What is the SMILES notation for (3R,5R,6E)-3,5-dibromo-8-chloro-2,6-dimethylocta-1,6-diene?
The canonical SMILES for (3R,5R,6E)-3,5-dibromo-8-chloro-2,6-dimethylocta-1,6-diene is C=C(C)[C@H](Br)C[C@@H](Br)/C(C)=C/CCl.
What is the InChIKey of (3R,5R,6E)-3,5-dibromo-8-chloro-2,6-dimethylocta-1,6-diene?
The InChIKey is YUIHVEKNYFPNLL-PSVJHUJZSA-N. The full InChI is InChI=1S/C10H15Br2Cl/c1-7(2)9(11)6-10(12)8(3)4-5-13/h4,9-10H,1,5-6H2,2-3H3/b8-4+/t9-,10-/m1/s1.
What are the key properties of (3R,5R,6E)-3,5-dibromo-8-chloro-2,6-dimethylocta-1,6-diene?
(3R,5R,6E)-3,5-dibromo-8-chloro-2,6-dimethylocta-1,6-diene has a molecular weight of 330.49 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R,6E)-3,5-dibromo-8-chloro-2,6-dimethylocta-1,6-diene is sourced from PubChem (CID 162957214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).