(3S)-6-bromo-3-(bromomethyl)-2,3-dichloro-7-methylocta-1,6-diene

C10H14Br2Cl2 — CID 10044349

IUPAC(3S)-6-bromo-3-(bromomethyl)-2,3-dichloro-7-methylocta-1,6-diene
SMILESC=C(Cl)[C@](Cl)(CBr)CCC(Br)=C(C)C
InChIInChI=1S/C10H14Br2Cl2/c1-7(2)9(12)4-5-10(14,6-11)8(3)13/h3-6H2,1-2H3/t10-/m1/s1
InChIKeyQOZBNRJYHFRDPQ-SNVBAGLBSA-N
MW364.94 g/mol
LogP5.58
Rot. Bonds5

About (3S)-6-bromo-3-(bromomethyl)-2,3-dichloro-7-methylocta-1,6-diene

(3S)-6-bromo-3-(bromomethyl)-2,3-dichloro-7-methylocta-1,6-diene (PubChem CID 10044349) has the molecular formula C10H14Br2Cl2 and a molecular weight of 364.94 g/mol. Its IUPAC name is (3S)-6-bromo-3-(bromomethyl)-2,3-dichloro-7-methylocta-1,6-diene.

Molecular Properties

Compound Name(3S)-6-bromo-3-(bromomethyl)-2,3-dichloro-7-methylocta-1,6-diene
PubChem CID10044349
Molecular FormulaC10H14Br2Cl2
Molecular Weight364.94 g/mol
Exact Mass361.88
IUPAC Name(3S)-6-bromo-3-(bromomethyl)-2,3-dichloro-7-methylocta-1,6-diene
SMILESC=C(Cl)[C@](Cl)(CBr)CCC(Br)=C(C)C
InChIInChI=1S/C10H14Br2Cl2/c1-7(2)9(12)4-5-10(14,6-11)8(3)13/h3-6H2,1-2H3/t10-/m1/s1
InChIKeyQOZBNRJYHFRDPQ-SNVBAGLBSA-N
XLogP5.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.94
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-(bromomethyl)-2,3,6-trichloro-7-methylocta-1,6-diene
CID 10381365
Halogenated monoterpenes
CID 11493622
(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
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
(1E,3Z,6S)-1,6-dibromo-2,7-dichloro-3,7-dimethylocta-1,3-diene
CID 163187390
6-Bromo-3-(bromomethyl)-3-chloro-7-methylocta-1,6-diene
CID 4680477
(E,2R,6R,7S)-1,1,7-tribromo-2,6,8-trichloro-3,7-dimethyloct-3-ene
CID 21630859
(3R)-3-(bromomethyl)-2,3-dichloro-7-methylocta-1,6-diene
CID 162949146
(3R)-3-(bromomethyl)-2,3,6-trichloro-7-methylocta-1,6-diene
CID 162979121
(3Z)-2-bromo-3-(bromomethylidene)-6-chloro-7-methylocta-1,6-diene
CID 23424594

Frequently Asked Questions

What is the IUPAC name of (3S)-6-bromo-3-(bromomethyl)-2,3-dichloro-7-methylocta-1,6-diene?
The IUPAC name of (3S)-6-bromo-3-(bromomethyl)-2,3-dichloro-7-methylocta-1,6-diene (CID 10044349) is (3S)-6-bromo-3-(bromomethyl)-2,3-dichloro-7-methylocta-1,6-diene.
What is the SMILES notation for (3S)-6-bromo-3-(bromomethyl)-2,3-dichloro-7-methylocta-1,6-diene?
The canonical SMILES for (3S)-6-bromo-3-(bromomethyl)-2,3-dichloro-7-methylocta-1,6-diene is C=C(Cl)[C@](Cl)(CBr)CCC(Br)=C(C)C.
What is the InChIKey of (3S)-6-bromo-3-(bromomethyl)-2,3-dichloro-7-methylocta-1,6-diene?
The InChIKey is QOZBNRJYHFRDPQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H14Br2Cl2/c1-7(2)9(12)4-5-10(14,6-11)8(3)13/h3-6H2,1-2H3/t10-/m1/s1.
What are the key properties of (3S)-6-bromo-3-(bromomethyl)-2,3-dichloro-7-methylocta-1,6-diene?
(3S)-6-bromo-3-(bromomethyl)-2,3-dichloro-7-methylocta-1,6-diene has a molecular weight of 364.94 g/mol, XLogP of 5.58, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-6-bromo-3-(bromomethyl)-2,3-dichloro-7-methylocta-1,6-diene is sourced from PubChem (CID 10044349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).