(3S,4S,5E,7S)-4,8-dibromo-3,7-dichloro-3,7-dimethylocta-1,5-diene

C10H14Br2Cl2 — CID 6475604

IUPAC(3S,4S,5E,7S)-4,8-dibromo-3,7-dichloro-3,7-dimethylocta-1,5-diene
SMILESC=C[C@](C)(Cl)[C@@H](Br)/C=C/[C@](C)(Cl)CBr
InChIInChI=1S/C10H14Br2Cl2/c1-4-10(3,14)8(12)5-6-9(2,13)7-11/h4-6,8H,1,7H2,2-3H3/b6-5+/t8-,9-,10-/m0/s1
InChIKeyGMRISVPDHRWESB-JKNZDJNPSA-N
MW364.94 g/mol
LogP4.88
Rot. Bonds5

About (3S,4S,5E,7S)-4,8-dibromo-3,7-dichloro-3,7-dimethylocta-1,5-diene

(3S,4S,5E,7S)-4,8-dibromo-3,7-dichloro-3,7-dimethylocta-1,5-diene (PubChem CID 6475604) has the molecular formula C10H14Br2Cl2 and a molecular weight of 364.94 g/mol. Its IUPAC name is (3S,4S,5E,7S)-4,8-dibromo-3,7-dichloro-3,7-dimethylocta-1,5-diene.

Molecular Properties

Compound Name(3S,4S,5E,7S)-4,8-dibromo-3,7-dichloro-3,7-dimethylocta-1,5-diene
PubChem CID6475604
Molecular FormulaC10H14Br2Cl2
Molecular Weight364.94 g/mol
Exact Mass361.88
IUPAC Name(3S,4S,5E,7S)-4,8-dibromo-3,7-dichloro-3,7-dimethylocta-1,5-diene
SMILESC=C[C@](C)(Cl)[C@@H](Br)/C=C/[C@](C)(Cl)CBr
InChIInChI=1S/C10H14Br2Cl2/c1-4-10(3,14)8(12)5-6-9(2,13)7-11/h4-6,8H,1,7H2,2-3H3/b6-5+/t8-,9-,10-/m0/s1
InChIKeyGMRISVPDHRWESB-JKNZDJNPSA-N
XLogP4.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.94
LogP ≤ 54.88
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'}

Analyze (3S,4S,5E,7S)-4,8-dibromo-3,7-dichloro-3,7-dimethylocta-1,5-diene with MolForge

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Related Compounds

(E)-(2S,5S,6S,7S)-1,5,7-Tribromo-2,6,8-trichloro-2,6-dimethyl-oct-3-ene
CID 6475607
(E)-(3R,4S,7S)-4,8-Dibromo-3,7-dichloro-3,7-dimethyl-octa-1,5-diene
CID 6475603
(1E,3R,4S,5E)-1-bromo-7-(bromomethyl)-3,4,7,8-tetrachloro-3-methylocta-1,5-diene
CID 21630857
(1E,3R,4S,5E,7S)-1,8,8-tribromo-3,4,7-trichloro-3,7-dimethylocta-1,5-diene
CID 23425271
1,5-Octadiene, 1-bromo-7-(bromomethyl)-3,4,7,8-tetrachloro-3-methyl-
CID 6440283
7-(Bromomethyl)-1,3,4,7,8-pentachloro-3-methyl-1,5-octadiene
CID 5387751
1,5-Octadiene, 1,8-dibromo-3,4,7-trichloro-3,7-dimethyl-, (E,E)-
CID 5251709
1,8,8-Tribromo-3,4,7-trichloro-3,7-dimethylocta-1,5-diene
CID 74051468
(3S,4R,5E,7R)-4,8-dibromo-3,7-dichloro-3,7-dimethylocta-1,5-diene
CID 162902032
(1E,3R,4S,5E,7R)-1,8-dibromo-3,4,7-trichloro-3,7-dimethylocta-1,5-diene
CID 163009442
(1E,3R,4S,5E,7S)-1,4,8-tribromo-3,7-dichloro-3,7-dimethylocta-1,5-diene
CID 163042741
8-Bromo-1,3,4,7-tetrachloro-3,7-dimethyl-1,5-octadiene
CID 6439779

Frequently Asked Questions

What is the IUPAC name of (3S,4S,5E,7S)-4,8-dibromo-3,7-dichloro-3,7-dimethylocta-1,5-diene?
The IUPAC name of (3S,4S,5E,7S)-4,8-dibromo-3,7-dichloro-3,7-dimethylocta-1,5-diene (CID 6475604) is (3S,4S,5E,7S)-4,8-dibromo-3,7-dichloro-3,7-dimethylocta-1,5-diene.
What is the SMILES notation for (3S,4S,5E,7S)-4,8-dibromo-3,7-dichloro-3,7-dimethylocta-1,5-diene?
The canonical SMILES for (3S,4S,5E,7S)-4,8-dibromo-3,7-dichloro-3,7-dimethylocta-1,5-diene is C=C[C@](C)(Cl)[C@@H](Br)/C=C/[C@](C)(Cl)CBr.
What is the InChIKey of (3S,4S,5E,7S)-4,8-dibromo-3,7-dichloro-3,7-dimethylocta-1,5-diene?
The InChIKey is GMRISVPDHRWESB-JKNZDJNPSA-N. The full InChI is InChI=1S/C10H14Br2Cl2/c1-4-10(3,14)8(12)5-6-9(2,13)7-11/h4-6,8H,1,7H2,2-3H3/b6-5+/t8-,9-,10-/m0/s1.
What are the key properties of (3S,4S,5E,7S)-4,8-dibromo-3,7-dichloro-3,7-dimethylocta-1,5-diene?
(3S,4S,5E,7S)-4,8-dibromo-3,7-dichloro-3,7-dimethylocta-1,5-diene has a molecular weight of 364.94 g/mol, XLogP of 4.88, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,5E,7S)-4,8-dibromo-3,7-dichloro-3,7-dimethylocta-1,5-diene is sourced from PubChem (CID 6475604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).